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The molecule of the title compound, C30H48N4O4, displays approximate twofold symmetry in the central part of the mol­ecule, but the ethyl groups depart from this symmetry. The carbonyl O atoms point alternately to different sides of the plane defined by the carbonyl C atoms. A three-dimensional hydrogen-bonding network is built up from five C—H...O interactions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803013709/bt6290sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803013709/bt6290Isup2.hkl
Contains datablock I

CCDC reference: 221672

Key indicators

  • Single-crystal X-ray study
  • T = 133 K
  • Mean [sigma](C-C) = 0.002 Å
  • R factor = 0.042
  • wR factor = 0.114
  • Data-to-parameter ratio = 17.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Siemens, 1994); software used to prepare material for publication: SHELXL97.

7-isopropylidenenorborna-2,5-diene-2,3,5,6-tetracarboxylic acid tetrakis(diethylamide) top
Crystal data top
C30H48N4O4F(000) = 1152
Mr = 528.72Dx = 1.142 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
a = 10.7945 (12) ÅCell parameters from 4910 reflections
b = 25.449 (3) Åθ = 2.2–28°
c = 11.6710 (12) ŵ = 0.08 mm1
β = 106.353 (3)°T = 133 K
V = 3076.4 (6) Å3Prism, colourless
Z = 40.44 × 0.27 × 0.22 mm
Data collection top
Bruker SMART 1000 CCD
diffractometer
4102 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.051
Graphite monochromatorθmax = 26.4°, θmin = 2.0°
Detector resolution: 8.192 pixels mm-1h = 1313
ω scansk = 3125
19202 measured reflectionsl = 1413
6300 independent reflections
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)] = 0.042Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.114H-atom parameters constrained
S = 0.94 w = 1/[σ2(Fo2) + (0.062P)2]
where P = (Fo2 + 2Fc2)/3
6300 reflections(Δ/σ)max = 0.001
353 parametersΔρmax = 0.29 e Å3
0 restraintsΔρmin = 0.19 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.

Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane)

7.0405 (0.0030) x + 15.8337 (0.0086) y + 2.7059 (0.0045) z = 15.5432 (0.0038)

* 0.0790 (0.0008) C11 * -0.0781 (0.0008) C16 * 0.0781 (0.0008) C21 * -0.0790 (0.0008) C26 0.8890 (0.0020) O1 - 1.0521 (0.0017) O2 0.8748 (0.0019) O3 - 1.0146 (0.0018) O4

Rms deviation of fitted atoms = 0.0785

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
O10.79816 (11)0.66733 (5)0.09104 (9)0.0359 (3)
O20.75937 (10)0.51322 (4)0.37644 (10)0.0362 (3)
O30.66659 (10)0.62720 (5)0.66299 (9)0.0366 (3)
O40.42995 (10)0.68820 (5)0.22351 (9)0.0326 (3)
N10.66646 (12)0.59666 (5)0.06782 (11)0.0297 (3)
N20.94430 (11)0.53210 (5)0.33016 (11)0.0271 (3)
N30.48350 (11)0.60232 (5)0.52538 (11)0.0271 (3)
N40.44752 (13)0.74008 (6)0.38489 (12)0.0389 (4)
C10.73255 (13)0.68912 (6)0.32409 (13)0.0232 (3)
H10.72780.72190.27590.028*
C20.75545 (13)0.63725 (6)0.26518 (13)0.0227 (3)
C30.80098 (12)0.60263 (6)0.35372 (12)0.0212 (3)
C40.80330 (13)0.63064 (6)0.47131 (12)0.0217 (3)
H40.85780.61450.54690.026*
C50.66173 (13)0.64309 (6)0.46530 (12)0.0220 (3)
C60.62009 (13)0.67880 (6)0.37921 (12)0.0223 (3)
C70.84278 (13)0.68522 (6)0.43928 (12)0.0224 (3)
C80.93647 (14)0.71763 (6)0.49500 (13)0.0272 (4)
C91.03525 (15)0.70210 (7)0.60898 (15)0.0352 (4)
H9A1.02060.72210.67570.042*
H9B1.12200.70960.60230.042*
H9C1.02750.66440.62320.042*
C100.94805 (17)0.77257 (7)0.45172 (16)0.0369 (4)
H10A0.88970.77680.37110.044*
H10B1.03710.77890.45020.044*
H10C0.92490.79780.50570.044*
C110.74030 (14)0.63450 (6)0.13440 (13)0.0258 (3)
C120.57984 (15)0.56158 (7)0.10810 (14)0.0333 (4)
H12A0.60510.56130.19650.040*
H12B0.58990.52540.08080.040*
C130.43891 (15)0.57763 (8)0.06197 (16)0.0403 (4)
H13A0.42680.61220.09420.048*
H13B0.38490.55170.08740.048*
H13C0.41410.57930.02540.048*
C140.66111 (16)0.59381 (8)0.05969 (14)0.0372 (4)
H14A0.65890.62990.09170.045*
H14B0.58020.57600.10380.045*
C150.77390 (17)0.56487 (8)0.08165 (14)0.0420 (4)
H15A0.85330.58490.04760.050*
H15B0.76030.56070.16780.050*
H15C0.78150.53020.04390.050*
C160.83304 (13)0.54597 (6)0.35305 (12)0.0228 (3)
C170.97370 (16)0.47609 (7)0.32691 (15)0.0367 (4)
H17A0.95090.45820.39350.044*
H17B1.06770.47180.33940.044*
C180.9026 (2)0.44980 (8)0.21083 (17)0.0545 (5)
H18A0.80930.45270.19930.065*
H18B0.92710.41260.21360.065*
H18C0.92520.46710.14440.065*
C191.04566 (14)0.56986 (7)0.32538 (15)0.0354 (4)
H19A1.12740.55930.38410.042*
H19B1.02170.60490.34910.042*
C201.06780 (17)0.57395 (9)0.20379 (16)0.0494 (5)
H20A1.08640.53900.17750.059*
H20B1.14110.59730.20810.059*
H20C0.99030.58820.14680.059*
C210.60349 (14)0.62291 (6)0.55785 (13)0.0234 (3)
C220.42408 (16)0.59024 (7)0.62121 (14)0.0340 (4)
H22A0.48980.57480.68980.041*
H22B0.35470.56400.59220.041*
C230.3686 (2)0.63881 (9)0.6614 (2)0.0629 (6)
H23A0.43720.66480.69050.076*
H23B0.33070.62970.72590.076*
H23C0.30170.65360.59410.076*
C240.40765 (15)0.59014 (7)0.40285 (14)0.0305 (4)
H24A0.44830.60750.34660.037*
H24B0.32000.60500.38910.037*
C250.39613 (17)0.53208 (7)0.37571 (15)0.0400 (4)
H25A0.48190.51760.38200.048*
H25B0.34000.52660.29460.048*
H25C0.35900.51430.43290.048*
C260.49095 (14)0.70284 (6)0.32486 (13)0.0264 (3)
C270.52281 (19)0.76161 (8)0.50031 (16)0.0461 (5)
H27A0.58180.73410.54510.055*
H27B0.46340.77150.54760.055*
C280.6009 (2)0.80920 (9)0.48557 (19)0.0650 (6)
H28A0.65860.79970.43730.078*
H28B0.65230.82140.56430.078*
H28C0.54250.83730.44560.078*
C290.32216 (18)0.76484 (9)0.32497 (18)0.0557 (6)
H29A0.31600.77040.23960.067*
H29B0.31720.79960.36150.067*
C300.21109 (19)0.73157 (12)0.3348 (2)0.0785 (9)
H30A0.21470.69740.29720.094*
H30B0.12970.74920.29450.094*
H30C0.21620.72640.41920.094*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0428 (7)0.0354 (7)0.0336 (7)0.0058 (6)0.0177 (5)0.0043 (5)
O20.0339 (6)0.0246 (7)0.0550 (8)0.0029 (5)0.0204 (6)0.0046 (5)
O30.0336 (6)0.0517 (8)0.0232 (6)0.0091 (5)0.0058 (5)0.0009 (5)
O40.0290 (6)0.0393 (7)0.0265 (6)0.0062 (5)0.0028 (5)0.0009 (5)
N10.0307 (7)0.0355 (8)0.0223 (7)0.0043 (6)0.0066 (6)0.0040 (6)
N20.0217 (6)0.0244 (7)0.0352 (7)0.0042 (5)0.0079 (6)0.0007 (6)
N30.0225 (6)0.0345 (8)0.0256 (7)0.0034 (6)0.0089 (5)0.0001 (6)
N40.0368 (8)0.0437 (9)0.0327 (8)0.0201 (7)0.0041 (6)0.0038 (7)
C10.0250 (7)0.0204 (8)0.0248 (8)0.0008 (6)0.0081 (6)0.0028 (6)
C20.0188 (7)0.0222 (8)0.0277 (8)0.0028 (6)0.0077 (6)0.0004 (6)
C30.0158 (7)0.0219 (8)0.0267 (8)0.0022 (6)0.0071 (6)0.0002 (6)
C40.0183 (7)0.0218 (8)0.0239 (8)0.0015 (6)0.0043 (6)0.0012 (6)
C50.0213 (7)0.0223 (8)0.0223 (8)0.0003 (6)0.0062 (6)0.0037 (6)
C60.0217 (7)0.0221 (8)0.0229 (8)0.0012 (6)0.0057 (6)0.0031 (6)
C70.0225 (7)0.0211 (8)0.0251 (8)0.0020 (6)0.0094 (6)0.0011 (6)
C80.0270 (8)0.0264 (9)0.0307 (8)0.0017 (7)0.0123 (7)0.0056 (7)
C90.0266 (8)0.0356 (10)0.0409 (10)0.0059 (7)0.0053 (7)0.0103 (8)
C100.0423 (10)0.0274 (10)0.0454 (10)0.0090 (8)0.0194 (8)0.0071 (8)
C110.0251 (8)0.0255 (9)0.0274 (8)0.0045 (7)0.0084 (7)0.0025 (7)
C120.0357 (9)0.0326 (10)0.0293 (9)0.0077 (8)0.0055 (7)0.0038 (7)
C130.0353 (9)0.0432 (12)0.0417 (10)0.0060 (8)0.0096 (8)0.0067 (8)
C140.0397 (9)0.0470 (11)0.0230 (8)0.0021 (8)0.0058 (7)0.0034 (8)
C150.0508 (11)0.0492 (12)0.0268 (9)0.0068 (9)0.0121 (8)0.0031 (8)
C160.0215 (7)0.0227 (8)0.0230 (8)0.0001 (6)0.0044 (6)0.0002 (6)
C170.0372 (9)0.0304 (10)0.0435 (10)0.0130 (8)0.0132 (8)0.0033 (8)
C180.0782 (14)0.0325 (11)0.0533 (12)0.0103 (10)0.0191 (11)0.0068 (9)
C190.0210 (8)0.0401 (11)0.0453 (10)0.0015 (7)0.0097 (7)0.0030 (8)
C200.0284 (9)0.0698 (15)0.0486 (11)0.0012 (9)0.0086 (8)0.0136 (10)
C210.0241 (7)0.0234 (9)0.0232 (8)0.0010 (6)0.0074 (6)0.0004 (6)
C220.0313 (9)0.0416 (11)0.0335 (9)0.0060 (8)0.0166 (7)0.0001 (8)
C230.0735 (14)0.0609 (15)0.0751 (15)0.0150 (12)0.0548 (13)0.0072 (12)
C240.0246 (8)0.0354 (10)0.0289 (8)0.0019 (7)0.0032 (7)0.0004 (7)
C250.0381 (9)0.0399 (11)0.0363 (10)0.0001 (8)0.0012 (8)0.0028 (8)
C260.0256 (8)0.0280 (9)0.0256 (8)0.0055 (7)0.0073 (7)0.0035 (7)
C270.0558 (11)0.0452 (12)0.0338 (10)0.0227 (10)0.0070 (9)0.0084 (8)
C280.0782 (15)0.0553 (15)0.0560 (13)0.0038 (13)0.0102 (12)0.0177 (11)
C290.0505 (12)0.0653 (15)0.0458 (12)0.0386 (11)0.0044 (9)0.0044 (10)
C300.0384 (11)0.147 (3)0.0545 (14)0.0421 (14)0.0200 (10)0.0244 (14)
Geometric parameters (Å, º) top
O1—C111.2339 (18)C13—H13C0.9800
O2—C161.2345 (17)C14—C151.505 (2)
O3—C211.2292 (16)C14—H14A0.9900
O4—C261.2382 (17)C14—H14B0.9900
N1—C111.348 (2)C15—H15A0.9800
N1—C121.463 (2)C15—H15B0.9800
N1—C141.475 (2)C15—H15C0.9800
N2—C161.3488 (18)C17—C181.512 (3)
N2—C171.463 (2)C17—H17A0.9900
N2—C191.469 (2)C17—H17B0.9900
N3—C211.3487 (19)C18—H18A0.9800
N3—C241.4670 (19)C18—H18B0.9800
N3—C221.4701 (19)C18—H18C0.9800
N4—C261.339 (2)C19—C201.507 (2)
N4—C271.469 (2)C19—H19A0.9900
N4—C291.478 (2)C19—H19B0.9900
C1—C71.527 (2)C20—H20A0.9800
C1—C21.540 (2)C20—H20B0.9800
C1—C61.548 (2)C20—H20C0.9800
C1—H11.0000C22—C231.505 (3)
C2—C31.342 (2)C22—H22A0.9900
C2—C111.490 (2)C22—H22B0.9900
C3—C161.483 (2)C23—H23A0.9800
C3—C41.541 (2)C23—H23B0.9800
C4—C71.530 (2)C23—H23C0.9800
C4—C51.5428 (19)C24—C251.509 (2)
C4—H41.0000C24—H24A0.9900
C5—C61.335 (2)C24—H24B0.9900
C5—C211.486 (2)C25—H25A0.9800
C6—C261.491 (2)C25—H25B0.9800
C7—C81.325 (2)C25—H25C0.9800
C8—C101.504 (2)C27—C281.513 (3)
C8—C91.505 (2)C27—H27A0.9900
C9—H9A0.9800C27—H27B0.9900
C9—H9B0.9800C28—H28A0.9800
C9—H9C0.9800C28—H28B0.9800
C10—H10A0.9800C28—H28C0.9800
C10—H10B0.9800C29—C301.498 (3)
C10—H10C0.9800C29—H29A0.9900
C12—C131.520 (2)C29—H29B0.9900
C12—H12A0.9900C30—H30A0.9800
C12—H12B0.9900C30—H30B0.9800
C13—H13A0.9800C30—H30C0.9800
C13—H13B0.9800
C11—N1—C12125.33 (12)O2—C16—N2122.14 (14)
C11—N1—C14117.74 (13)O2—C16—C3119.29 (13)
C12—N1—C14116.58 (13)N2—C16—C3118.53 (13)
C16—N2—C17118.16 (13)N2—C17—C18113.27 (14)
C16—N2—C19123.40 (13)N2—C17—H17A108.9
C17—N2—C19117.84 (12)C18—C17—H17A108.9
C21—N3—C24125.76 (12)N2—C17—H17B108.9
C21—N3—C22117.24 (12)C18—C17—H17B108.9
C24—N3—C22117.00 (12)H17A—C17—H17B107.7
C26—N4—C27123.96 (13)C17—C18—H18A109.5
C26—N4—C29117.57 (14)C17—C18—H18B109.5
C27—N4—C29118.12 (14)H18A—C18—H18B109.5
C7—C1—C298.86 (11)C17—C18—H18C109.5
C7—C1—C697.53 (11)H18A—C18—H18C109.5
C2—C1—C6106.45 (12)H18B—C18—H18C109.5
C7—C1—H1117.0N2—C19—C20113.45 (14)
C2—C1—H1117.0N2—C19—H19A108.9
C6—C1—H1117.0C20—C19—H19A108.9
C3—C2—C11131.97 (14)N2—C19—H19B108.9
C3—C2—C1106.81 (12)C20—C19—H19B108.9
C11—C2—C1120.83 (13)H19A—C19—H19B107.7
C2—C3—C16132.06 (13)C19—C20—H20A109.5
C2—C3—C4107.02 (13)C19—C20—H20B109.5
C16—C3—C4120.62 (12)H20A—C20—H20B109.5
C7—C4—C397.95 (11)C19—C20—H20C109.5
C7—C4—C598.22 (11)H20A—C20—H20C109.5
C3—C4—C5106.68 (11)H20B—C20—H20C109.5
C7—C4—H4117.0O3—C21—N3122.24 (13)
C3—C4—H4117.0O3—C21—C5117.77 (13)
C5—C4—H4117.0N3—C21—C5119.95 (13)
C6—C5—C21131.34 (13)N3—C22—C23111.27 (15)
C6—C5—C4107.05 (12)N3—C22—H22A109.4
C21—C5—C4120.82 (12)C23—C22—H22A109.4
C5—C6—C26132.52 (13)N3—C22—H22B109.4
C5—C6—C1106.91 (12)C23—C22—H22B109.4
C26—C6—C1120.16 (12)H22A—C22—H22B108.0
C8—C7—C1133.59 (14)C22—C23—H23A109.5
C8—C7—C4132.21 (14)C22—C23—H23B109.5
C1—C7—C494.16 (11)H23A—C23—H23B109.5
C7—C8—C10122.55 (15)C22—C23—H23C109.5
C7—C8—C9121.55 (15)H23A—C23—H23C109.5
C10—C8—C9115.85 (14)H23B—C23—H23C109.5
C8—C9—H9A109.5N3—C24—C25113.70 (13)
C8—C9—H9B109.5N3—C24—H24A108.8
H9A—C9—H9B109.5C25—C24—H24A108.8
C8—C9—H9C109.5N3—C24—H24B108.8
H9A—C9—H9C109.5C25—C24—H24B108.8
H9B—C9—H9C109.5H24A—C24—H24B107.7
C8—C10—H10A109.5C24—C25—H25A109.5
C8—C10—H10B109.5C24—C25—H25B109.5
H10A—C10—H10B109.5H25A—C25—H25B109.5
C8—C10—H10C109.5C24—C25—H25C109.5
H10A—C10—H10C109.5H25A—C25—H25C109.5
H10B—C10—H10C109.5H25B—C25—H25C109.5
O1—C11—N1122.19 (14)O4—C26—N4122.84 (14)
O1—C11—C2117.77 (14)O4—C26—C6117.71 (13)
N1—C11—C2120.03 (13)N4—C26—C6119.41 (13)
N1—C12—C13112.89 (14)N4—C27—C28112.11 (15)
N1—C12—H12A109.0N4—C27—H27A109.2
C13—C12—H12A109.0C28—C27—H27A109.2
N1—C12—H12B109.0N4—C27—H27B109.2
C13—C12—H12B109.0C28—C27—H27B109.2
H12A—C12—H12B107.8H27A—C27—H27B107.9
C12—C13—H13A109.5C27—C28—H28A109.5
C12—C13—H13B109.5C27—C28—H28B109.5
H13A—C13—H13B109.5H28A—C28—H28B109.5
C12—C13—H13C109.5C27—C28—H28C109.5
H13A—C13—H13C109.5H28A—C28—H28C109.5
H13B—C13—H13C109.5H28B—C28—H28C109.5
N1—C14—C15113.08 (13)N4—C29—C30111.62 (18)
N1—C14—H14A109.0N4—C29—H29A109.3
C15—C14—H14A109.0C30—C29—H29A109.3
N1—C14—H14B109.0N4—C29—H29B109.3
C15—C14—H14B109.0C30—C29—H29B109.3
H14A—C14—H14B107.8H29A—C29—H29B108.0
C14—C15—H15A109.5C29—C30—H30A109.5
C14—C15—H15B109.5C29—C30—H30B109.5
H15A—C15—H15B109.5H30A—C30—H30B109.5
C14—C15—H15C109.5C29—C30—H30C109.5
H15A—C15—H15C109.5H30A—C30—H30C109.5
H15B—C15—H15C109.5H30B—C30—H30C109.5
C7—C1—C2—C333.25 (13)C3—C2—C11—N159.1 (2)
C6—C1—C2—C367.37 (14)C1—C2—C11—N1129.20 (15)
C7—C1—C2—C11140.34 (13)C11—N1—C12—C13102.11 (17)
C6—C1—C2—C11119.04 (14)C14—N1—C12—C1370.93 (18)
C11—C2—C3—C1611.7 (3)C11—N1—C14—C1582.23 (19)
C1—C2—C3—C16175.70 (14)C12—N1—C14—C15104.18 (17)
C11—C2—C3—C4174.84 (14)C17—N2—C16—O23.4 (2)
C1—C2—C3—C42.25 (14)C19—N2—C16—O2167.55 (14)
C2—C3—C4—C736.81 (13)C17—N2—C16—C3178.59 (12)
C16—C3—C4—C7148.84 (12)C19—N2—C16—C310.5 (2)
C2—C3—C4—C564.29 (14)C2—C3—C16—O2104.94 (19)
C16—C3—C4—C5110.06 (14)C4—C3—C16—O267.78 (18)
C7—C4—C5—C633.85 (14)C2—C3—C16—N277.0 (2)
C3—C4—C5—C667.05 (15)C4—C3—C16—N2110.30 (15)
C7—C4—C5—C21137.05 (13)C16—N2—C17—C1879.40 (19)
C3—C4—C5—C21122.05 (14)C19—N2—C17—C18109.16 (17)
C21—C5—C6—C2616.1 (3)C16—N2—C19—C20115.96 (17)
C4—C5—C6—C26174.27 (15)C17—N2—C19—C2073.08 (18)
C21—C5—C6—C1171.43 (14)C24—N3—C21—O3172.46 (14)
C4—C5—C6—C11.84 (15)C22—N3—C21—O36.5 (2)
C7—C1—C6—C536.90 (14)C24—N3—C21—C59.8 (2)
C2—C1—C6—C564.70 (14)C22—N3—C21—C5171.26 (13)
C7—C1—C6—C26149.55 (13)C6—C5—C21—O3122.55 (18)
C2—C1—C6—C26108.85 (15)C4—C5—C21—O345.8 (2)
C2—C1—C7—C8128.98 (17)C6—C5—C21—N355.3 (2)
C6—C1—C7—C8122.97 (17)C4—C5—C21—N3136.28 (15)
C2—C1—C7—C453.26 (11)C21—N3—C22—C2380.44 (19)
C6—C1—C7—C454.78 (12)C24—N3—C22—C23100.47 (18)
C3—C4—C7—C8127.96 (16)C21—N3—C24—C25107.24 (18)
C5—C4—C7—C8123.80 (16)C22—N3—C24—C2571.75 (18)
C3—C4—C7—C154.23 (11)C27—N4—C26—O4174.17 (16)
C5—C4—C7—C154.01 (11)C29—N4—C26—O41.1 (2)
C1—C7—C8—C103.7 (3)C27—N4—C26—C63.7 (2)
C4—C7—C8—C10173.26 (14)C29—N4—C26—C6176.80 (16)
C1—C7—C8—C9178.73 (14)C5—C6—C26—O4105.61 (19)
C4—C7—C8—C94.3 (2)C1—C6—C26—O466.01 (19)
C12—N1—C11—O1170.13 (14)C5—C6—C26—N476.4 (2)
C14—N1—C11—O12.8 (2)C1—C6—C26—N4111.95 (16)
C12—N1—C11—C210.6 (2)C26—N4—C27—C2890.6 (2)
C14—N1—C11—C2176.41 (13)C29—N4—C27—C2882.5 (2)
C3—C2—C11—O1120.22 (18)C26—N4—C29—C3081.3 (2)
C1—C2—C11—O151.52 (19)C27—N4—C29—C30105.2 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C27—H27B···O1i0.992.523.423 (2)151
C22—H22B···O2ii0.992.403.299 (2)151
C15—H15B···O3iii0.982.583.286 (2)129
C9—H9A···O4iv0.982.613.425 (2)141
C10—H10C···O4iv0.982.553.383 (2)143
Symmetry codes: (i) x1/2, y+3/2, z+1/2; (ii) x+1, y+1, z+1; (iii) x, y, z1; (iv) x+1/2, y+3/2, z+1/2.
 

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