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The title compound, C27H43NO2·H2O, is the monohydrate of a common naturally occurring steroidal alkaloid, for which an X-ray crystal structure has previously been published [Turdybekov, Lindeman, Struchkov, Gaza­liev, Balitskii & Zhurinov (1989). Chem. Nat. Compd. 25, 75–76]. This paper reports the correct structure of the title compound and proposes an alternative interpretation of the structure reported in the 1989 paper.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806038554/fl2056sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806038554/fl2056Isup2.hkl
Contains datablock I

CCDC reference: 624515

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.038
  • wR factor = 0.096
  • Data-to-parameter ratio = 8.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT420_ALERT_2_C D-H Without Acceptor N26 - H26 ... ?
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 25.00 From the CIF: _reflns_number_total 2517 Count of symmetry unique reflns 2520 Completeness (_total/calc) 99.88% 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 C3 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C8 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C9 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C10 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C13 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C14 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C16 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C17 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C20 = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C22 = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C25 = . R
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 12 ALERT level G = General alerts; check 11 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 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: XSCANS (Siemens, 1996); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXTL-Plus (Sheldrick, 1998); program(s) used to refine structure: SHELXTL-Plus; molecular graphics: SHELXTL-Plus; software used to prepare material for publication: SHELXTL-Plus.

[(22R,25R)-spirosol-5-en-3β-ol] monohydrate top
Crystal data top
C27H43NO2·H2OF(000) = 952
Mr = 431.64Dx = 1.166 Mg m3
Orthorhombic, P212121Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2abCell parameters from 50 reflections
a = 7.6497 (8) Åθ = 4.8–12.3°
b = 9.6076 (17) ŵ = 0.07 mm1
c = 33.445 (5) ÅT = 296 K
V = 2458.0 (6) Å3Block, colourless
Z = 40.60 × 0.50 × 0.18 mm
Data collection top
Bruker P4
diffractometer
Rint = 0.019
Radiation source: fine-focus sealed tube, FN4θmax = 25.0°, θmin = 2.4°
Graphite monochromatorh = 92
ω scansk = 111
3574 measured reflectionsl = 391
2517 independent reflections3 standard reflections every 97 reflections
2112 reflections with I > 2σ(I) intensity decay: 1%
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: see text
R[F2 > 2σ(F2)] = 0.038H-atom parameters constrained
wR(F2) = 0.096 w = 1/[σ2(Fo2) + (0.0474P)2 + 0.2778P]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max < 0.001
2517 reflectionsΔρmax = 0.15 e Å3
285 parametersΔρmin = 0.15 e Å3
0 restraintsExtinction correction: SHELXTL-Plus (Sheldrick, 1998), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0025 (5)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.1720 (3)0.4677 (3)0.62631 (6)0.0465 (6)
H1A0.06190.51230.61980.056*
H1B0.16080.36970.61970.056*
C20.2029 (3)0.4811 (3)0.67144 (6)0.0460 (6)
H2A0.20510.57860.67890.055*
H2B0.10840.43630.68590.055*
C30.3739 (4)0.4138 (3)0.68227 (7)0.0457 (6)
H3A0.37050.31590.67410.055*
C40.5218 (3)0.4860 (3)0.66016 (6)0.0494 (7)
H4A0.63130.44030.66660.059*
H4B0.52970.58180.66920.059*
C50.4948 (3)0.4838 (3)0.61505 (6)0.0392 (6)
C60.6211 (3)0.4431 (3)0.59106 (7)0.0449 (6)
H6A0.72550.41560.60290.054*
C70.6119 (3)0.4370 (3)0.54630 (6)0.0465 (6)
H7A0.61240.34030.53800.056*
H7B0.71530.48100.53530.056*
C80.4505 (3)0.5079 (3)0.52922 (6)0.0356 (5)
H8A0.47210.60840.52820.043*
C90.2900 (3)0.4817 (3)0.55588 (6)0.0376 (5)
H9A0.27480.38050.55710.045*
C100.3167 (3)0.5314 (2)0.59981 (6)0.0364 (5)
C110.1229 (3)0.5402 (3)0.53677 (7)0.0521 (7)
H11A0.12820.64100.53730.062*
H11B0.02320.51170.55270.062*
C120.0941 (3)0.4922 (3)0.49324 (7)0.0503 (7)
H12A0.07140.39280.49290.060*
H12B0.00760.53900.48230.060*
C130.2522 (3)0.5235 (3)0.46711 (6)0.0365 (5)
C140.4129 (3)0.4565 (3)0.48700 (6)0.0358 (5)
H14A0.38510.35740.48960.043*
C150.5548 (3)0.4655 (3)0.45487 (6)0.0438 (6)
H15A0.60390.55840.45330.053*
H15B0.64790.39920.45980.053*
C160.4534 (3)0.4289 (3)0.41692 (7)0.0409 (6)
H16A0.47690.33240.40910.049*
C170.2563 (3)0.4488 (3)0.42570 (6)0.0375 (6)
H17A0.20110.35720.42830.045*
C180.2747 (4)0.6812 (3)0.46208 (7)0.0488 (7)
H18A0.30100.72240.48750.073*
H18B0.16850.72060.45180.073*
H18C0.36860.69940.44380.073*
C190.3085 (4)0.6924 (3)0.60309 (8)0.0504 (7)
H19A0.34990.72080.62890.076*
H19B0.18990.72290.59960.076*
H19C0.38060.73320.58270.076*
C200.1853 (3)0.5211 (3)0.38776 (6)0.0418 (6)
H20A0.16410.61890.39460.050*
C210.0128 (3)0.4609 (4)0.37226 (8)0.0614 (8)
H21A0.07840.47910.39130.092*
H21B0.02480.36230.36860.092*
H21C0.01620.50360.34720.092*
C220.3402 (3)0.5173 (3)0.35843 (6)0.0409 (6)
O220.4914 (2)0.5206 (2)0.38464 (4)0.0449 (4)
C230.3560 (4)0.6423 (3)0.33119 (8)0.0534 (7)
H23A0.36500.72590.34730.064*
H23B0.25110.64980.31500.064*
C240.5145 (4)0.6329 (3)0.30381 (8)0.0568 (8)
H24A0.51350.71070.28530.068*
H24B0.62030.63910.31970.068*
C250.5157 (3)0.4980 (3)0.28042 (7)0.0532 (7)
H25A0.41460.49780.26240.064*
C260.4973 (4)0.3767 (3)0.30909 (7)0.0510 (7)
H26A0.49170.29040.29410.061*
H26B0.59890.37270.32640.061*
N260.3380 (3)0.3918 (2)0.33355 (6)0.0445 (5)
H260.32150.31720.34980.067*
C270.6812 (4)0.4830 (4)0.25513 (9)0.0778 (10)
H27A0.69090.56090.23730.117*
H27B0.67510.39840.23990.117*
H27C0.78160.48010.27230.117*
O280.3992 (3)0.4207 (2)0.72466 (4)0.0573 (5)
H280.46440.35640.72930.086*
O290.5976 (3)0.1785 (2)0.73250 (6)0.0683 (6)
H29A0.66890.14590.71260.102*
H29B0.57220.10370.74570.102*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0394 (13)0.0608 (16)0.0393 (11)0.0057 (14)0.0007 (11)0.0028 (12)
C20.0470 (14)0.0509 (15)0.0402 (12)0.0028 (14)0.0087 (11)0.0014 (12)
C30.0586 (16)0.0446 (14)0.0339 (11)0.0032 (14)0.0025 (12)0.0044 (11)
C40.0444 (14)0.0647 (18)0.0391 (12)0.0007 (15)0.0035 (11)0.0077 (13)
C50.0370 (13)0.0443 (14)0.0363 (11)0.0058 (13)0.0007 (11)0.0019 (11)
C60.0378 (14)0.0593 (16)0.0376 (12)0.0043 (13)0.0040 (11)0.0015 (12)
C70.0416 (14)0.0608 (16)0.0371 (12)0.0092 (13)0.0003 (11)0.0015 (12)
C80.0339 (12)0.0384 (12)0.0346 (10)0.0006 (12)0.0009 (10)0.0023 (11)
C90.0339 (12)0.0422 (13)0.0368 (11)0.0029 (12)0.0006 (10)0.0042 (11)
C100.0349 (12)0.0395 (12)0.0347 (10)0.0009 (12)0.0014 (10)0.0032 (10)
C110.0346 (13)0.0824 (19)0.0392 (12)0.0048 (15)0.0013 (11)0.0110 (14)
C120.0358 (13)0.075 (2)0.0404 (12)0.0008 (15)0.0028 (11)0.0055 (14)
C130.0317 (12)0.0411 (13)0.0369 (11)0.0003 (12)0.0025 (10)0.0069 (11)
C140.0358 (13)0.0365 (12)0.0350 (11)0.0012 (11)0.0008 (10)0.0018 (10)
C150.0384 (13)0.0562 (15)0.0368 (11)0.0105 (13)0.0004 (11)0.0002 (12)
C160.0450 (14)0.0430 (14)0.0348 (11)0.0046 (12)0.0036 (11)0.0000 (11)
C170.0411 (13)0.0357 (13)0.0357 (11)0.0005 (12)0.0004 (11)0.0036 (10)
C180.0550 (17)0.0440 (14)0.0473 (14)0.0107 (13)0.0116 (13)0.0060 (12)
C190.0624 (18)0.0464 (14)0.0425 (13)0.0010 (15)0.0017 (14)0.0050 (12)
C200.0434 (13)0.0452 (13)0.0369 (11)0.0039 (13)0.0056 (11)0.0041 (12)
C210.0495 (16)0.086 (2)0.0486 (14)0.0030 (17)0.0084 (13)0.0096 (15)
C220.0459 (13)0.0416 (13)0.0351 (11)0.0002 (13)0.0076 (11)0.0005 (11)
O220.0436 (9)0.0568 (11)0.0345 (8)0.0025 (10)0.0021 (7)0.0023 (8)
C230.0668 (19)0.0447 (14)0.0486 (14)0.0035 (15)0.0065 (15)0.0045 (12)
C240.0643 (19)0.0588 (17)0.0472 (15)0.0067 (16)0.0035 (16)0.0142 (13)
C250.0470 (15)0.0742 (19)0.0384 (12)0.0034 (16)0.0009 (12)0.0004 (14)
C260.0539 (17)0.0548 (16)0.0443 (14)0.0094 (15)0.0010 (14)0.0045 (12)
N260.0549 (13)0.0422 (11)0.0363 (10)0.0004 (11)0.0004 (11)0.0002 (9)
C270.0602 (19)0.105 (3)0.0687 (17)0.012 (2)0.0128 (16)0.002 (2)
O280.0734 (13)0.0664 (12)0.0321 (8)0.0150 (11)0.0008 (9)0.0052 (8)
O290.0721 (14)0.0684 (13)0.0644 (12)0.0175 (12)0.0176 (11)0.0107 (10)
Geometric parameters (Å, º) top
C1—C21.533 (3)C15—H15B0.9700
C1—C101.545 (3)C16—O221.423 (3)
C1—H1A0.9700C16—C171.548 (3)
C1—H1B0.9700C16—H16A0.9800
C2—C31.503 (4)C17—C201.545 (3)
C2—H2A0.9700C17—H17A0.9800
C2—H2B0.9700C18—H18A0.9600
C3—O281.432 (3)C18—H18B0.9600
C3—C41.519 (4)C18—H18C0.9600
C3—H3A0.9800C19—H19A0.9600
C4—C51.523 (3)C19—H19B0.9600
C4—H4A0.9700C19—H19C0.9600
C4—H4B0.9700C20—C211.531 (4)
C5—C61.315 (3)C20—C221.539 (3)
C5—C101.525 (3)C20—H20A0.9800
C6—C71.500 (3)C21—H21A0.9600
C6—H6A0.9300C21—H21B0.9600
C7—C81.521 (3)C21—H21C0.9600
C7—H7A0.9700C22—O221.451 (3)
C7—H7B0.9700C22—N261.465 (3)
C8—C141.524 (3)C22—C231.512 (3)
C8—C91.538 (3)C23—C241.522 (4)
C8—H8A0.9800C23—H23A0.9700
C9—C111.536 (3)C23—H23B0.9700
C9—C101.558 (3)C24—C251.514 (4)
C9—H9A0.9800C24—H24A0.9700
C10—C191.552 (3)C24—H24B0.9700
C11—C121.543 (3)C25—C261.516 (4)
C11—H11A0.9700C25—C271.529 (4)
C11—H11B0.9700C25—H25A0.9800
C12—C131.522 (3)C26—N261.475 (3)
C12—H12A0.9700C26—H26A0.9700
C12—H12B0.9700C26—H26B0.9700
C13—C181.535 (4)N26—H260.9078
C13—C141.539 (3)C27—H27A0.9600
C13—C171.560 (3)C27—H27B0.9600
C14—C151.530 (3)C27—H27C0.9600
C14—H14A0.9800O28—H280.8088
C15—C161.528 (3)O29—H29A0.9164
C15—H15A0.9700O29—H29B0.8650
C2—C1—C10114.9 (2)C16—C15—H15B111.3
C2—C1—H1A108.5C14—C15—H15B111.3
C10—C1—H1A108.5H15A—C15—H15B109.2
C2—C1—H1B108.5O22—C16—C15112.6 (2)
C10—C1—H1B108.5O22—C16—C17105.4 (2)
H1A—C1—H1B107.5C15—C16—C17107.95 (18)
C3—C2—C1109.6 (2)O22—C16—H16A110.2
C3—C2—H2A109.8C15—C16—H16A110.2
C1—C2—H2A109.8C17—C16—H16A110.2
C3—C2—H2B109.8C20—C17—C16104.01 (19)
C1—C2—H2B109.8C20—C17—C13121.0 (2)
H2A—C2—H2B108.2C16—C17—C13104.18 (18)
O28—C3—C2109.7 (2)C20—C17—H17A109.0
O28—C3—C4111.1 (2)C16—C17—H17A109.0
C2—C3—C4109.5 (2)C13—C17—H17A109.0
O28—C3—H3A108.8C13—C18—H18A109.5
C2—C3—H3A108.8C13—C18—H18B109.5
C4—C3—H3A108.8H18A—C18—H18B109.5
C3—C4—C5112.0 (2)C13—C18—H18C109.5
C3—C4—H4A109.2H18A—C18—H18C109.5
C5—C4—H4A109.2H18B—C18—H18C109.5
C3—C4—H4B109.2C10—C19—H19A109.5
C5—C4—H4B109.2C10—C19—H19B109.5
H4A—C4—H4B107.9H19A—C19—H19B109.5
C6—C5—C4120.6 (2)C10—C19—H19C109.5
C6—C5—C10122.8 (2)H19A—C19—H19C109.5
C4—C5—C10116.6 (2)H19B—C19—H19C109.5
C5—C6—C7125.9 (2)C21—C20—C22116.04 (19)
C5—C6—H6A117.1C21—C20—C17114.3 (2)
C7—C6—H6A117.1C22—C20—C17104.01 (18)
C6—C7—C8113.3 (2)C21—C20—H20A107.3
C6—C7—H7A108.9C22—C20—H20A107.3
C8—C7—H7A108.9C17—C20—H20A107.3
C6—C7—H7B108.9C20—C21—H21A109.5
C8—C7—H7B108.9C20—C21—H21B109.5
H7A—C7—H7B107.7H21A—C21—H21B109.5
C7—C8—C14110.86 (19)C20—C21—H21C109.5
C7—C8—C9110.90 (18)H21A—C21—H21C109.5
C14—C8—C9109.48 (18)H21B—C21—H21C109.5
C7—C8—H8A108.5O22—C22—N26111.7 (2)
C14—C8—H8A108.5O22—C22—C23106.4 (2)
C9—C8—H8A108.5N26—C22—C23108.20 (18)
C11—C9—C8111.30 (18)O22—C22—C20103.19 (16)
C11—C9—C10112.9 (2)N26—C22—C20111.9 (2)
C8—C9—C10113.04 (18)C23—C22—C20115.2 (2)
C11—C9—H9A106.3C16—O22—C22106.38 (18)
C8—C9—H9A106.3C22—C23—C24112.2 (2)
C10—C9—H9A106.3C22—C23—H23A109.2
C5—C10—C1109.21 (18)C24—C23—H23A109.2
C5—C10—C19108.2 (2)C22—C23—H23B109.2
C1—C10—C19109.0 (2)C24—C23—H23B109.2
C5—C10—C9109.91 (19)H23A—C23—H23B107.9
C1—C10—C9108.99 (19)C25—C24—C23111.5 (2)
C19—C10—C9111.5 (2)C25—C24—H24A109.3
C9—C11—C12113.7 (2)C23—C24—H24A109.3
C9—C11—H11A108.8C25—C24—H24B109.3
C12—C11—H11A108.8C23—C24—H24B109.3
C9—C11—H11B108.8H24A—C24—H24B108.0
C12—C11—H11B108.8C24—C25—C26109.30 (19)
H11A—C11—H11B107.7C24—C25—C27111.8 (3)
C13—C12—C11111.7 (2)C26—C25—C27110.7 (3)
C13—C12—H12A109.3C24—C25—H25A108.3
C11—C12—H12A109.3C26—C25—H25A108.3
C13—C12—H12B109.3C27—C25—H25A108.3
C11—C12—H12B109.3N26—C26—C25110.6 (2)
H12A—C12—H12B107.9N26—C26—H26A109.5
C12—C13—C18110.3 (2)C25—C26—H26A109.5
C12—C13—C14107.70 (18)N26—C26—H26B109.5
C18—C13—C14111.8 (2)C25—C26—H26B109.5
C12—C13—C17115.8 (2)H26A—C26—H26B108.1
C18—C13—C17110.8 (2)C22—N26—C26112.7 (2)
C14—C13—C17100.09 (18)C22—N26—H26108.2
C8—C14—C15119.92 (19)C26—N26—H26111.6
C8—C14—C13114.57 (19)C25—C27—H27A109.5
C15—C14—C13103.88 (17)C25—C27—H27B109.5
C8—C14—H14A105.8H27A—C27—H27B109.5
C15—C14—H14A105.8C25—C27—H27C109.5
C13—C14—H14A105.8H27A—C27—H27C109.5
C16—C15—C14102.15 (19)H27B—C27—H27C109.5
C16—C15—H15A111.3C3—O28—H28103.8
C14—C15—H15A111.3H29A—O29—H29B102.8
C10—C1—C2—C357.7 (3)C12—C13—C14—C15168.2 (2)
C1—C2—C3—O28177.4 (2)C18—C13—C14—C1570.5 (2)
C1—C2—C3—C460.4 (3)C17—C13—C14—C1546.8 (2)
O28—C3—C4—C5178.3 (2)C8—C14—C15—C16170.3 (2)
C2—C3—C4—C557.0 (3)C13—C14—C15—C1640.8 (2)
C3—C4—C5—C6130.4 (3)C14—C15—C16—O22134.4 (2)
C3—C4—C5—C1050.0 (3)C14—C15—C16—C1718.4 (3)
C4—C5—C6—C7179.5 (3)O22—C16—C17—C2017.1 (3)
C10—C5—C6—C70.1 (5)C15—C16—C17—C20137.7 (2)
C5—C6—C7—C810.5 (4)O22—C16—C17—C13110.5 (2)
C6—C7—C8—C14159.9 (2)C15—C16—C17—C1310.0 (3)
C6—C7—C8—C938.0 (3)C12—C13—C17—C2094.2 (3)
C7—C8—C9—C11174.3 (2)C18—C13—C17—C2032.3 (3)
C14—C8—C9—C1151.6 (3)C14—C13—C17—C20150.4 (2)
C7—C8—C9—C1057.4 (3)C12—C13—C17—C16149.4 (2)
C14—C8—C9—C10179.94 (19)C18—C13—C17—C1684.0 (2)
C6—C5—C10—C1137.0 (3)C14—C13—C17—C1634.1 (2)
C4—C5—C10—C143.4 (3)C16—C17—C20—C21135.3 (2)
C6—C5—C10—C19104.5 (3)C13—C17—C20—C21108.3 (3)
C4—C5—C10—C1975.1 (3)C16—C17—C20—C227.8 (2)
C6—C5—C10—C917.5 (3)C13—C17—C20—C22124.2 (2)
C4—C5—C10—C9162.9 (2)C21—C20—C22—O22156.0 (2)
C2—C1—C10—C547.3 (3)C17—C20—C22—O2229.6 (2)
C2—C1—C10—C1970.6 (3)C21—C20—C22—N2635.7 (3)
C2—C1—C10—C9167.4 (2)C17—C20—C22—N2690.7 (2)
C11—C9—C10—C5173.3 (2)C21—C20—C22—C2388.4 (3)
C8—C9—C10—C545.8 (3)C17—C20—C22—C23145.2 (2)
C11—C9—C10—C167.1 (3)C15—C16—O22—C22154.9 (2)
C8—C9—C10—C1165.5 (2)C17—C16—O22—C2237.5 (2)
C11—C9—C10—C1953.3 (3)N26—C22—O22—C1678.0 (2)
C8—C9—C10—C1974.2 (3)C23—C22—O22—C16164.1 (2)
C8—C9—C11—C1251.6 (3)C20—C22—O22—C1642.4 (2)
C10—C9—C11—C12180.0 (2)O22—C22—C23—C2464.9 (3)
C9—C11—C12—C1354.1 (3)N26—C22—C23—C2455.3 (3)
C11—C12—C13—C1867.3 (3)C20—C22—C23—C24178.6 (2)
C11—C12—C13—C1454.9 (3)C22—C23—C24—C2553.9 (3)
C11—C12—C13—C17165.9 (2)C23—C24—C25—C2652.9 (3)
C7—C8—C14—C1555.0 (3)C23—C24—C25—C27175.8 (2)
C9—C8—C14—C15177.7 (2)C24—C25—C26—N2656.1 (3)
C7—C8—C14—C13179.6 (2)C27—C25—C26—N26179.8 (2)
C9—C8—C14—C1357.8 (3)O22—C22—N26—C2657.2 (2)
C12—C13—C14—C859.1 (3)C23—C22—N26—C2659.7 (3)
C18—C13—C14—C862.2 (3)C20—C22—N26—C26172.32 (19)
C17—C13—C14—C8179.51 (19)C25—C26—N26—C2261.6 (3)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O28—H28···O290.811.992.791 (3)169
O29—H29B···O28i0.862.032.861 (3)161
O29—H29A···N26ii0.922.052.953 (3)170
Symmetry codes: (i) x+1, y1/2, z+3/2; (ii) x+1/2, y+1/2, z+1.
 

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