Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
The title compound, C28H50N2O, also known as cyclo­virobuxine A, was obtained from N-methyl­ation of naturally occurring cyclo­virobuxine D. It has a four-ring triterpenoid nucleus in a transcistrans configuration. The six-membered rings have chair conformations, while the conformation of the five-membered ring is an envelope.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806037251/hk2124sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806037251/hk2124Isup2.hkl
Contains datablock I

CCDC reference: 624729

Key indicators

  • Single-crystal X-ray study
  • T = 294 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.054
  • wR factor = 0.095
  • Data-to-parameter ratio = 7.9

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 45 Perc. PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) ..... 7.94 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 8
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 25.01 From the CIF: _reflns_number_total 2224 Count of symmetry unique reflns 2249 Completeness (_total/calc) 98.89% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no PLAT791_ALERT_1_G Confirm the Absolute Configuration of C1 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C3 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C6 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C7 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C9 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C10 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C11 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C25 = . S
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 9 ALERT level G = General alerts; check 9 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2000); software used to prepare material for publication: SHELXTL.

3α,20-Bis(dimethylamino)-4,4,14-trimethyl-9,19-cyclo-5α-pregnan-16-ol top
Crystal data top
C28H50N2OZ = 1
Mr = 430.70F(000) = 240
Triclinic, P1Dx = 1.125 Mg m3
Hall symbol: P 1Melting point = 514–515 K
a = 6.245 (3) ÅMo Kα radiation, λ = 0.71073 Å
b = 7.106 (4) ÅCell parameters from 514 reflections
c = 15.858 (8) Åθ = 2.6–18.9°
α = 77.993 (9)°µ = 0.07 mm1
β = 87.575 (10)°T = 294 K
γ = 67.574 (8)°Plate, colorless
V = 635.7 (6) Å30.45 × 0.38 × 0.10 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer
2224 independent reflections
Radiation source: fine-focus sealed tube1002 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.042
φ and ω scansθmax = 25.0°, θmin = 2.6°
Absorption correction: multi-scan
(SABABS; Sheldrick, 1996)
h = 77
Tmin = 0.971, Tmax = 0.993k = 78
3380 measured reflectionsl = 918
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.054Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.095H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.0225P)2]
where P = (Fo2 + 2Fc2)/3
2224 reflections(Δ/σ)max < 0.001
280 parametersΔρmax = 0.16 e Å3
3 restraintsΔρmin = 0.16 e Å3
Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
N10.8098 (9)0.2534 (8)0.9081 (3)0.0663 (16)
N20.3152 (9)0.6844 (8)0.1053 (3)0.0659 (15)
O10.5083 (7)0.2560 (6)0.1959 (3)0.0852 (15)
H10.45390.33070.14890.128*
C10.7162 (9)0.2899 (8)0.8199 (4)0.0528 (17)
H1C0.58580.24420.82710.063*
C20.8885 (10)0.1462 (8)0.7640 (4)0.0543 (17)
C30.7672 (9)0.1855 (8)0.6756 (4)0.0448 (15)
H30.63570.14280.68890.054*
C40.9107 (10)0.0479 (8)0.6147 (4)0.0581 (18)
H4A1.04680.07990.59910.070*
H4B0.96210.09730.64360.070*
C50.7675 (10)0.0846 (8)0.5351 (4)0.0568 (18)
H5A0.62370.06740.55170.068*
H5B0.85050.01880.50160.068*
C60.7123 (10)0.2996 (8)0.4796 (4)0.0491 (16)
H60.86180.30400.46010.059*
C70.5654 (9)0.3453 (8)0.3973 (3)0.0419 (16)
C80.7019 (10)0.2205 (8)0.3303 (4)0.0562 (17)
H8A0.86600.19160.33600.067*
H8B0.68090.08980.33730.067*
C90.5988 (10)0.3624 (9)0.2425 (4)0.0593 (18)
H90.72130.39500.20980.071*
C100.4139 (9)0.5635 (8)0.2607 (4)0.0478 (16)
H100.26890.54020.26940.057*
C110.4977 (9)0.5743 (8)0.3494 (4)0.0443 (16)
C120.3214 (9)0.7124 (8)0.4028 (4)0.0549 (17)
H12A0.17140.70690.39390.066*
H12B0.30730.85520.38190.066*
C130.3840 (9)0.6510 (8)0.4995 (4)0.0558 (17)
H13A0.25940.61760.52870.067*
H13B0.38430.77330.51740.067*
C140.6122 (10)0.4710 (8)0.5335 (4)0.0484 (17)
C150.6597 (9)0.4107 (9)0.6303 (4)0.0435 (15)
C160.4917 (9)0.5411 (8)0.6872 (4)0.0545 (17)
H16A0.43230.68630.65790.065*
H16B0.36170.49770.69790.065*
C170.6109 (10)0.5171 (8)0.7720 (4)0.0628 (19)
H17A0.49960.59830.80810.075*
H17B0.73250.57160.76120.075*
C180.7964 (10)0.5194 (8)0.5739 (4)0.0567 (17)
H18A0.95750.43800.56550.068*
H18B0.76290.66340.57570.068*
C190.6360 (12)0.2449 (11)0.9717 (4)0.102 (3)
H19A0.70120.22091.02850.154*
H19B0.58810.13370.96760.154*
H19C0.50440.37440.96070.154*
C200.9075 (11)0.4010 (10)0.9226 (4)0.097 (2)
H20A0.96390.36560.98150.145*
H20B0.78990.53890.91090.145*
H20C1.03310.39560.88480.145*
C210.9399 (11)0.0790 (9)0.8126 (4)0.076 (2)
H21A1.04740.17410.78120.115*
H21B0.79850.10340.81790.115*
H21C1.00590.09980.86900.115*
C221.1168 (9)0.1819 (10)0.7554 (4)0.078 (2)
H22A1.08630.32280.72620.117*
H22B1.22170.08800.72300.117*
H22C1.18490.15740.81180.117*
C230.3526 (9)0.2877 (8)0.4191 (4)0.0618 (18)
H23A0.26370.36400.46050.093*
H23B0.40300.14120.44270.093*
H23C0.25840.32210.36750.093*
C240.7069 (9)0.6384 (8)0.3386 (4)0.0587 (17)
H24A0.81920.55340.30490.088*
H24B0.77540.62000.39430.088*
H24C0.65740.78190.30980.088*
C250.3699 (10)0.7467 (9)0.1831 (4)0.0607 (18)
H250.51700.76580.17330.073*
C260.1912 (9)0.9531 (8)0.1986 (4)0.075 (2)
H26A0.17421.06040.14830.112*
H26B0.24230.98860.24720.112*
H26C0.04480.94000.21010.112*
C270.3656 (13)0.8050 (10)0.0265 (4)0.097 (3)
H27A0.52200.79670.03050.146*
H27B0.26050.94760.01890.146*
H27C0.34750.74990.02200.146*
C280.0785 (12)0.6953 (11)0.0997 (4)0.089 (2)
H28A0.04610.61620.15190.133*
H28B0.06080.63900.05160.133*
H28C0.02740.83770.09190.133*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
N10.081 (4)0.060 (4)0.051 (4)0.019 (3)0.008 (3)0.009 (3)
N20.076 (4)0.067 (4)0.056 (4)0.028 (3)0.009 (3)0.010 (3)
O10.113 (4)0.063 (3)0.081 (3)0.024 (3)0.016 (3)0.034 (2)
C10.052 (4)0.041 (4)0.068 (5)0.020 (3)0.004 (4)0.013 (4)
C20.045 (4)0.037 (4)0.078 (5)0.010 (3)0.006 (4)0.015 (4)
C30.033 (3)0.035 (4)0.062 (4)0.010 (3)0.001 (3)0.009 (3)
C40.056 (4)0.031 (4)0.075 (5)0.006 (3)0.003 (4)0.006 (3)
C50.061 (4)0.035 (4)0.066 (5)0.005 (3)0.001 (4)0.019 (3)
C60.050 (4)0.033 (4)0.064 (5)0.013 (3)0.013 (3)0.019 (3)
C70.041 (4)0.032 (4)0.056 (5)0.013 (3)0.004 (3)0.019 (3)
C80.064 (4)0.039 (4)0.067 (4)0.016 (3)0.008 (4)0.022 (3)
C90.065 (5)0.050 (4)0.071 (5)0.027 (4)0.015 (4)0.021 (4)
C100.038 (4)0.040 (4)0.070 (5)0.014 (3)0.006 (3)0.023 (3)
C110.040 (4)0.039 (4)0.055 (5)0.014 (3)0.004 (3)0.015 (3)
C120.055 (4)0.046 (4)0.062 (5)0.013 (3)0.000 (4)0.020 (3)
C130.057 (4)0.041 (4)0.061 (5)0.006 (4)0.006 (3)0.017 (3)
C140.046 (4)0.028 (3)0.067 (5)0.008 (3)0.001 (4)0.013 (3)
C150.036 (3)0.040 (4)0.052 (4)0.009 (3)0.009 (3)0.013 (3)
C160.051 (4)0.041 (4)0.060 (5)0.006 (3)0.001 (4)0.010 (3)
C170.066 (5)0.042 (4)0.065 (5)0.002 (4)0.001 (4)0.014 (4)
C180.058 (4)0.041 (4)0.078 (5)0.025 (3)0.015 (3)0.018 (3)
C190.129 (7)0.099 (6)0.065 (6)0.037 (6)0.022 (5)0.004 (5)
C200.119 (7)0.092 (6)0.087 (6)0.038 (5)0.026 (5)0.031 (4)
C210.089 (5)0.041 (4)0.085 (6)0.010 (4)0.005 (4)0.010 (4)
C220.049 (4)0.083 (5)0.103 (6)0.021 (4)0.001 (4)0.030 (4)
C230.061 (4)0.050 (4)0.078 (5)0.027 (3)0.011 (3)0.012 (3)
C240.054 (4)0.048 (4)0.078 (5)0.025 (3)0.001 (3)0.010 (3)
C250.060 (4)0.053 (4)0.067 (5)0.019 (4)0.007 (4)0.012 (4)
C260.075 (5)0.062 (5)0.073 (5)0.007 (4)0.001 (4)0.018 (4)
C270.127 (7)0.080 (6)0.068 (5)0.027 (5)0.011 (5)0.008 (4)
C280.094 (6)0.098 (6)0.087 (6)0.046 (5)0.019 (5)0.022 (4)
Geometric parameters (Å, º) top
N1—C201.457 (7)C13—H13A0.9700
N1—C191.459 (7)C13—H13B0.9700
N1—C11.473 (7)C14—C151.515 (7)
N2—C281.456 (7)C14—C181.519 (7)
N2—C271.457 (7)C15—C181.509 (7)
N2—C251.488 (7)C15—C161.517 (7)
O1—C91.425 (6)C16—C171.511 (7)
O1—H10.8200C16—H16A0.9700
C1—C171.529 (7)C16—H16B0.9700
C1—C21.563 (7)C17—H17A0.9700
C1—H1C0.9800C17—H17B0.9700
C2—C221.537 (7)C18—H18A0.9700
C2—C211.541 (7)C18—H18B0.9700
C2—C31.543 (7)C19—H19A0.9600
C3—C151.506 (6)C19—H19B0.9600
C3—C41.531 (7)C19—H19C0.9600
C3—H30.9800C20—H20A0.9600
C4—C51.497 (7)C20—H20B0.9600
C4—H4A0.9700C20—H20C0.9600
C4—H4B0.9700C21—H21A0.9600
C5—C61.514 (7)C21—H21B0.9600
C5—H5A0.9700C21—H21C0.9600
C5—H5B0.9700C22—H22A0.9600
C6—C71.532 (6)C22—H22B0.9600
C6—C141.553 (7)C22—H22C0.9600
C6—H60.9800C23—H23A0.9600
C7—C231.539 (7)C23—H23B0.9600
C7—C81.543 (7)C23—H23C0.9600
C7—C111.547 (7)C24—H24A0.9600
C8—C91.538 (7)C24—H24B0.9600
C8—H8A0.9700C24—H24C0.9600
C8—H8B0.9700C25—C261.528 (7)
C9—C101.530 (7)C25—H250.9800
C9—H90.9800C26—H26A0.9600
C10—C251.540 (7)C26—H26B0.9600
C10—C111.549 (7)C26—H26C0.9600
C10—H100.9800C27—H27A0.9600
C11—C121.528 (7)C27—H27B0.9600
C11—C241.531 (7)C27—H27C0.9600
C12—C131.528 (7)C28—H28A0.9600
C12—H12A0.9700C28—H28B0.9600
C12—H12B0.9700C28—H28C0.9600
C13—C141.531 (6)
C20—N1—C19109.5 (6)C15—C14—C6118.6 (4)
C20—N1—C1115.2 (5)C18—C14—C6113.7 (5)
C19—N1—C1111.1 (5)C13—C14—C6116.8 (5)
C28—N2—C27109.9 (5)C3—C15—C18122.3 (5)
C28—N2—C25114.2 (5)C3—C15—C14121.0 (5)
C27—N2—C25111.3 (5)C18—C15—C1460.3 (4)
C9—O1—H1109.5C3—C15—C16111.3 (5)
N1—C1—C17116.0 (5)C18—C15—C16114.5 (5)
N1—C1—C2112.7 (5)C14—C15—C16118.9 (5)
C17—C1—C2112.4 (5)C17—C16—C15110.5 (5)
N1—C1—H1C104.8C17—C16—H16A109.6
C17—C1—H1C104.8C15—C16—H16A109.6
C2—C1—H1C104.8C17—C16—H16B109.6
C22—C2—C21108.8 (5)C15—C16—H16B109.6
C22—C2—C3112.4 (5)H16A—C16—H16B108.1
C21—C2—C3109.9 (5)C16—C17—C1112.0 (5)
C22—C2—C1111.1 (5)C16—C17—H17A109.2
C21—C2—C1106.1 (5)C1—C17—H17A109.2
C3—C2—C1108.4 (5)C16—C17—H17B109.2
C15—C3—C4111.6 (5)C1—C17—H17B109.2
C15—C3—C2115.0 (5)H17A—C17—H17B107.9
C4—C3—C2114.7 (4)C15—C18—C1460.1 (4)
C15—C3—H3104.7C15—C18—H18A117.8
C4—C3—H3104.7C14—C18—H18A117.8
C2—C3—H3104.7C15—C18—H18B117.8
C5—C4—C3109.9 (5)C14—C18—H18B117.8
C5—C4—H4A109.7H18A—C18—H18B114.9
C3—C4—H4A109.7N1—C19—H19A109.5
C5—C4—H4B109.7N1—C19—H19B109.5
C3—C4—H4B109.7H19A—C19—H19B109.5
H4A—C4—H4B108.2N1—C19—H19C109.5
C4—C5—C6112.4 (5)H19A—C19—H19C109.5
C4—C5—H5A109.1H19B—C19—H19C109.5
C6—C5—H5A109.1N1—C20—H20A109.5
C4—C5—H5B109.1N1—C20—H20B109.5
C6—C5—H5B109.1H20A—C20—H20B109.5
H5A—C5—H5B107.8N1—C20—H20C109.5
C5—C6—C7114.5 (5)H20A—C20—H20C109.5
C5—C6—C14111.4 (5)H20B—C20—H20C109.5
C7—C6—C14112.8 (4)C2—C21—H21A109.5
C5—C6—H6105.8C2—C21—H21B109.5
C7—C6—H6105.8H21A—C21—H21B109.5
C14—C6—H6105.8C2—C21—H21C109.5
C6—C7—C23110.1 (4)H21A—C21—H21C109.5
C6—C7—C8112.3 (4)H21B—C21—H21C109.5
C23—C7—C8107.7 (5)C2—C22—H22A109.5
C6—C7—C11110.9 (4)C2—C22—H22B109.5
C23—C7—C11112.4 (4)H22A—C22—H22B109.5
C8—C7—C11103.4 (4)C2—C22—H22C109.5
C9—C8—C7104.5 (4)H22A—C22—H22C109.5
C9—C8—H8A110.8H22B—C22—H22C109.5
C7—C8—H8A110.8C7—C23—H23A109.5
C9—C8—H8B110.8C7—C23—H23B109.5
C7—C8—H8B110.8H23A—C23—H23B109.5
H8A—C8—H8B108.9C7—C23—H23C109.5
O1—C9—C10113.0 (5)H23A—C23—H23C109.5
O1—C9—C8109.0 (5)H23B—C23—H23C109.5
C10—C9—C8107.2 (5)C11—C24—H24A109.5
O1—C9—H9109.2C11—C24—H24B109.5
C10—C9—H9109.2H24A—C24—H24B109.5
C8—C9—H9109.2C11—C24—H24C109.5
C9—C10—C25111.7 (5)H24A—C24—H24C109.5
C9—C10—C11102.7 (4)H24B—C24—H24C109.5
C25—C10—C11120.3 (4)N2—C25—C26113.8 (5)
C9—C10—H10107.1N2—C25—C10108.4 (5)
C25—C10—H10107.1C26—C25—C10113.9 (5)
C11—C10—H10107.1N2—C25—H25106.8
C12—C11—C24108.4 (5)C26—C25—H25106.8
C12—C11—C7108.0 (5)C10—C25—H25106.8
C24—C11—C7112.0 (4)C25—C26—H26A109.5
C12—C11—C10117.9 (4)C25—C26—H26B109.5
C24—C11—C10110.0 (5)H26A—C26—H26B109.5
C7—C11—C10100.3 (4)C25—C26—H26C109.5
C11—C12—C13113.9 (4)H26A—C26—H26C109.5
C11—C12—H12A108.8H26B—C26—H26C109.5
C13—C12—H12A108.8N2—C27—H27A109.5
C11—C12—H12B108.8N2—C27—H27B109.5
C13—C12—H12B108.8H27A—C27—H27B109.5
H12A—C12—H12B107.7N2—C27—H27C109.5
C12—C13—C14119.7 (5)H27A—C27—H27C109.5
C12—C13—H13A107.4H27B—C27—H27C109.5
C14—C13—H13A107.4N2—C28—H28A109.5
C12—C13—H13B107.4N2—C28—H28B109.5
C14—C13—H13B107.4H28A—C28—H28B109.5
H13A—C13—H13B106.9N2—C28—H28C109.5
C15—C14—C1859.6 (4)H28A—C28—H28C109.5
C15—C14—C13117.3 (5)H28B—C28—H28C109.5
C18—C14—C13118.3 (5)
C20—N1—C1—C1732.3 (8)C25—C10—C11—C2450.2 (6)
C19—N1—C1—C1792.9 (6)C9—C10—C11—C743.6 (5)
C20—N1—C1—C299.2 (6)C25—C10—C11—C7168.4 (5)
C19—N1—C1—C2135.5 (5)C24—C11—C12—C1377.5 (6)
N1—C1—C2—C2260.1 (6)C7—C11—C12—C1344.1 (6)
C17—C1—C2—C2273.2 (6)C10—C11—C12—C13156.8 (5)
N1—C1—C2—C2158.0 (6)C11—C12—C13—C142.6 (7)
C17—C1—C2—C21168.7 (5)C12—C13—C14—C15177.2 (5)
N1—C1—C2—C3175.9 (4)C12—C13—C14—C18114.4 (6)
C17—C1—C2—C350.7 (6)C12—C13—C14—C627.3 (7)
C22—C2—C3—C1571.9 (6)C5—C6—C14—C1521.2 (7)
C21—C2—C3—C15166.9 (5)C7—C6—C14—C15151.6 (5)
C1—C2—C3—C1551.3 (6)C5—C6—C14—C1888.3 (6)
C22—C2—C3—C459.6 (6)C7—C6—C14—C18141.3 (5)
C21—C2—C3—C461.7 (6)C5—C6—C14—C13128.3 (5)
C1—C2—C3—C4177.2 (5)C7—C6—C14—C132.1 (7)
C15—C3—C4—C552.6 (6)C4—C3—C15—C1847.3 (7)
C2—C3—C4—C5174.3 (5)C2—C3—C15—C1885.7 (7)
C3—C4—C5—C668.2 (6)C4—C3—C15—C1425.1 (7)
C4—C5—C6—C7179.8 (4)C2—C3—C15—C14158.0 (5)
C4—C5—C6—C1450.3 (7)C4—C3—C15—C16172.1 (5)
C5—C6—C7—C2349.5 (6)C2—C3—C15—C1655.0 (6)
C14—C6—C7—C2379.4 (6)C18—C14—C15—C3112.1 (6)
C5—C6—C7—C870.5 (6)C13—C14—C15—C3139.5 (5)
C14—C6—C7—C8160.7 (5)C6—C14—C15—C39.9 (8)
C5—C6—C7—C11174.5 (5)C13—C14—C15—C18108.5 (5)
C14—C6—C7—C1145.7 (6)C6—C14—C15—C18102.2 (6)
C6—C7—C8—C9148.5 (4)C18—C14—C15—C16103.3 (6)
C23—C7—C8—C990.2 (5)C13—C14—C15—C165.1 (7)
C11—C7—C8—C928.9 (6)C6—C14—C15—C16154.5 (5)
C7—C8—C9—O1121.2 (5)C3—C15—C16—C1755.8 (6)
C7—C8—C9—C101.4 (6)C18—C15—C16—C1788.1 (6)
O1—C9—C10—C2583.1 (6)C14—C15—C16—C17156.4 (5)
C8—C9—C10—C25156.7 (5)C15—C16—C17—C157.2 (7)
O1—C9—C10—C11146.6 (5)N1—C1—C17—C16172.4 (5)
C8—C9—C10—C1126.5 (6)C2—C1—C17—C1655.9 (7)
C6—C7—C11—C1270.5 (5)C3—C15—C18—C14109.9 (6)
C23—C7—C11—C1253.2 (6)C16—C15—C18—C14110.6 (5)
C8—C7—C11—C12169.0 (5)C13—C14—C18—C15106.7 (6)
C6—C7—C11—C2448.8 (6)C6—C14—C18—C15110.4 (5)
C23—C7—C11—C24172.5 (5)C28—N2—C25—C2649.2 (7)
C8—C7—C11—C2471.7 (6)C27—N2—C25—C2676.0 (7)
C6—C7—C11—C10165.4 (4)C28—N2—C25—C1078.6 (6)
C23—C7—C11—C1070.9 (5)C27—N2—C25—C10156.3 (5)
C8—C7—C11—C1045.0 (5)C9—C10—C25—N253.8 (6)
C9—C10—C11—C12160.5 (5)C11—C10—C25—N2174.3 (5)
C25—C10—C11—C1274.7 (7)C9—C10—C25—C26178.4 (5)
C9—C10—C11—C2474.6 (5)C11—C10—C25—C2658.0 (7)
 

Subscribe to Acta Crystallographica Section E: Crystallographic Communications

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds