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All three phenyl­tetra­zole substituents in the mol­ecule of the title compound, C30H24N12S3, are located on one side of the central benzene plane. The planes of the terminal phenyl groups are roughly orthogonal to the plane of the central benzene ring; the dihedral angles are 73.0 (2), 76.1 (2) and 89.3 (2)°. The tetra­zole planes form dihedral angles of 49.1 (2), 54.1 (2) and 36.8 (2)° with the planes of the attached phenyl rings.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806000936/ya6277sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806000936/ya6277Isup2.hkl
Contains datablock I

CCDC reference: 298585

Key indicators

  • Single-crystal X-ray study
  • T = 294 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.044
  • wR factor = 0.094
  • Data-to-parameter ratio = 13.3

checkCIF/PLATON results

No syntax errors found



Alert level C ABSMU01_ALERT_1_C The ratio of given/expected absorption coefficient lies outside the range 0.99 <> 1.01 Calculated value of mu = 0.285 Value of mu given = 0.280 PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

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

1,3,5-tris(1-phenyl-1H-tetrazole-5-ylsulfanylmethyl)benzene top
Crystal data top
C30H24N12S3Z = 2
Mr = 648.82F(000) = 672
Triclinic, P1Dx = 1.404 Mg m3
Hall symbol: -P 1Melting point: 425 K
a = 10.0160 (19) ÅMo Kα radiation, λ = 0.71073 Å
b = 11.323 (2) ÅCell parameters from 2083 reflections
c = 15.379 (3) Åθ = 2.3–22.5°
α = 68.488 (3)°µ = 0.28 mm1
β = 71.162 (3)°T = 294 K
γ = 84.523 (3)°Block, colourless
V = 1535.2 (5) Å30.28 × 0.24 × 0.10 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer
5403 independent reflections
Radiation source: fine-focus sealed tube3377 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.026
φ and ω scansθmax = 25.0°, θmin = 2.0°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1111
Tmin = 0.925, Tmax = 0.972k = 1113
7852 measured reflectionsl = 1818
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)] = 0.044Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.094H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.028P)2 + 0.2486P]
where P = (Fo2 + 2Fc2)/3
5403 reflections(Δ/σ)max = 0.005
406 parametersΔρmax = 0.25 e Å3
0 restraintsΔρmin = 0.25 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
S10.08780 (8)0.28478 (7)0.36733 (5)0.0504 (2)
S20.55027 (8)0.65753 (7)0.16704 (6)0.0531 (2)
S30.02785 (8)0.76032 (8)0.08160 (5)0.0520 (2)
N10.0689 (2)0.0815 (2)0.39369 (15)0.0453 (6)
N20.1820 (3)0.0106 (2)0.46679 (18)0.0526 (6)
N30.2225 (2)0.0498 (2)0.54031 (17)0.0501 (6)
N40.1353 (2)0.14976 (19)0.51535 (15)0.0369 (5)
N50.6903 (3)0.4320 (3)0.19254 (19)0.0641 (7)
N60.7620 (3)0.3611 (3)0.2558 (2)0.0816 (9)
N70.7597 (3)0.4123 (3)0.3186 (2)0.0722 (8)
N80.6852 (2)0.5202 (2)0.29746 (17)0.0499 (6)
N90.1454 (2)0.8225 (2)0.06588 (16)0.0491 (6)
N100.2480 (3)0.9004 (3)0.09320 (17)0.0589 (7)
N110.3033 (3)0.9620 (2)0.03475 (18)0.0559 (7)
N120.2347 (2)0.9246 (2)0.03487 (15)0.0407 (6)
C10.2208 (3)0.3905 (2)0.17462 (17)0.0363 (6)
C20.1284 (3)0.4643 (3)0.12696 (18)0.0393 (7)
H20.03910.43160.14090.047*
C30.1670 (3)0.5852 (3)0.05933 (17)0.0382 (6)
C40.3005 (3)0.6331 (2)0.03989 (17)0.0394 (7)
H40.32720.71470.00540.047*
C50.3944 (3)0.5622 (3)0.08628 (17)0.0366 (6)
C60.3534 (3)0.4398 (2)0.15338 (17)0.0370 (6)
H60.41620.39060.18430.044*
C70.1702 (3)0.2612 (2)0.25130 (17)0.0471 (7)
H7A0.24900.20480.25540.056*
H7B0.10280.22410.23480.056*
C80.0423 (3)0.1670 (2)0.42571 (18)0.0359 (6)
C90.1483 (3)0.2171 (2)0.58047 (18)0.0348 (6)
C100.1505 (3)0.3475 (3)0.54498 (19)0.0435 (7)
H100.14590.39130.47970.052*
C110.1595 (3)0.4129 (3)0.6063 (2)0.0495 (8)
H110.15930.50120.58230.059*
C120.1687 (3)0.3477 (3)0.7029 (2)0.0536 (8)
H120.17490.39190.74440.064*
C130.1689 (3)0.2175 (3)0.7384 (2)0.0591 (9)
H130.17660.17380.80420.071*
C140.1578 (3)0.1504 (3)0.67724 (19)0.0490 (7)
H140.15670.06210.70100.059*
C150.5367 (3)0.6173 (3)0.06552 (19)0.0509 (8)
H15A0.55520.69320.00680.061*
H15B0.60820.55650.05260.061*
C160.6438 (3)0.5306 (3)0.2198 (2)0.0465 (7)
C170.6662 (3)0.6036 (3)0.3514 (2)0.0478 (7)
C180.5339 (3)0.6382 (3)0.3940 (2)0.0717 (10)
H180.45530.60810.38800.086*
C190.5180 (4)0.7184 (4)0.4460 (3)0.0837 (11)
H190.42870.74420.47400.100*
C200.6352 (5)0.7600 (3)0.4560 (3)0.0777 (11)
H200.62500.81250.49210.093*
C210.7664 (4)0.7240 (3)0.4131 (3)0.0731 (10)
H210.84530.75280.41960.088*
C220.7830 (3)0.6461 (3)0.3607 (2)0.0614 (9)
H220.87270.62190.33150.074*
C230.0647 (3)0.6640 (3)0.0093 (2)0.0518 (8)
H23A0.00160.60950.00650.062*
H23B0.11490.71790.05730.062*
C240.1389 (3)0.8389 (2)0.01359 (19)0.0397 (7)
C250.2785 (3)0.9709 (2)0.11470 (19)0.0424 (7)
C260.4189 (3)0.9923 (3)0.1525 (2)0.0627 (9)
H260.48530.97530.12780.075*
C270.4594 (4)1.0394 (3)0.2276 (3)0.0856 (12)
H270.55421.05440.25380.103*
C280.3627 (5)1.0646 (3)0.2646 (3)0.0836 (12)
H280.39151.09690.31510.100*
C290.2227 (4)1.0418 (3)0.2266 (2)0.0712 (10)
H290.15671.05800.25190.085*
C300.1796 (3)0.9952 (3)0.1512 (2)0.0543 (8)
H300.08480.98020.12520.065*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
S10.0686 (5)0.0476 (5)0.0347 (4)0.0206 (4)0.0063 (4)0.0174 (3)
S20.0533 (5)0.0590 (5)0.0605 (5)0.0016 (4)0.0261 (4)0.0290 (4)
S30.0518 (5)0.0704 (6)0.0471 (5)0.0180 (4)0.0270 (4)0.0299 (4)
N10.0534 (16)0.0452 (15)0.0441 (14)0.0039 (12)0.0170 (12)0.0207 (12)
N20.0546 (16)0.0492 (16)0.0612 (16)0.0095 (13)0.0154 (13)0.0275 (13)
N30.0480 (15)0.0470 (15)0.0571 (16)0.0128 (12)0.0098 (12)0.0229 (13)
N40.0415 (14)0.0348 (13)0.0368 (13)0.0036 (10)0.0115 (11)0.0148 (10)
N50.0658 (18)0.0673 (19)0.0741 (19)0.0149 (15)0.0293 (15)0.0387 (16)
N60.082 (2)0.083 (2)0.096 (2)0.0307 (18)0.0389 (19)0.0465 (19)
N70.071 (2)0.076 (2)0.081 (2)0.0257 (16)0.0371 (17)0.0355 (17)
N80.0436 (15)0.0606 (18)0.0524 (15)0.0063 (13)0.0192 (12)0.0253 (13)
N90.0499 (15)0.0621 (17)0.0426 (14)0.0027 (13)0.0221 (12)0.0206 (12)
N100.0641 (18)0.0711 (19)0.0504 (16)0.0096 (15)0.0315 (14)0.0218 (14)
N110.0590 (17)0.0609 (18)0.0541 (16)0.0100 (13)0.0324 (14)0.0169 (14)
N120.0445 (14)0.0420 (14)0.0397 (13)0.0015 (11)0.0195 (11)0.0131 (11)
C10.0421 (17)0.0380 (16)0.0290 (14)0.0024 (13)0.0048 (12)0.0168 (12)
C20.0340 (16)0.0519 (19)0.0370 (15)0.0041 (13)0.0074 (13)0.0234 (14)
C30.0421 (17)0.0472 (18)0.0318 (15)0.0054 (14)0.0150 (13)0.0195 (13)
C40.0488 (18)0.0364 (16)0.0299 (14)0.0035 (14)0.0078 (13)0.0112 (12)
C50.0353 (16)0.0478 (18)0.0275 (14)0.0044 (13)0.0054 (12)0.0166 (13)
C60.0410 (17)0.0427 (17)0.0329 (15)0.0082 (13)0.0145 (12)0.0188 (13)
C70.060 (2)0.0383 (17)0.0397 (16)0.0013 (14)0.0064 (14)0.0177 (13)
C80.0471 (17)0.0328 (16)0.0343 (15)0.0003 (12)0.0189 (13)0.0138 (12)
C90.0322 (15)0.0397 (17)0.0347 (15)0.0047 (12)0.0072 (12)0.0171 (13)
C100.0482 (18)0.0435 (18)0.0408 (16)0.0003 (14)0.0132 (13)0.0177 (14)
C110.055 (2)0.0404 (18)0.055 (2)0.0007 (14)0.0106 (15)0.0251 (15)
C120.054 (2)0.066 (2)0.0493 (19)0.0051 (16)0.0051 (15)0.0376 (17)
C130.074 (2)0.068 (2)0.0350 (17)0.0096 (18)0.0093 (15)0.0211 (16)
C140.062 (2)0.0407 (18)0.0412 (17)0.0034 (14)0.0121 (15)0.0134 (14)
C150.0440 (18)0.069 (2)0.0423 (17)0.0087 (15)0.0101 (14)0.0226 (15)
C160.0371 (17)0.055 (2)0.0503 (18)0.0047 (14)0.0109 (14)0.0227 (15)
C170.0453 (19)0.056 (2)0.0467 (17)0.0017 (15)0.0211 (15)0.0166 (15)
C180.048 (2)0.104 (3)0.091 (3)0.0065 (19)0.0280 (19)0.062 (2)
C190.071 (3)0.109 (3)0.101 (3)0.020 (2)0.034 (2)0.070 (3)
C200.107 (3)0.075 (3)0.074 (2)0.007 (2)0.044 (2)0.036 (2)
C210.072 (3)0.084 (3)0.073 (2)0.023 (2)0.035 (2)0.022 (2)
C220.048 (2)0.079 (2)0.059 (2)0.0112 (17)0.0210 (16)0.0194 (18)
C230.057 (2)0.058 (2)0.0490 (17)0.0115 (15)0.0238 (15)0.0252 (15)
C240.0361 (16)0.0448 (18)0.0388 (16)0.0024 (13)0.0134 (13)0.0134 (13)
C250.0475 (19)0.0325 (16)0.0443 (17)0.0003 (13)0.0125 (14)0.0119 (13)
C260.057 (2)0.063 (2)0.078 (2)0.0150 (17)0.0240 (18)0.0373 (19)
C270.072 (3)0.086 (3)0.099 (3)0.017 (2)0.009 (2)0.053 (2)
C280.111 (4)0.073 (3)0.069 (3)0.008 (2)0.012 (2)0.044 (2)
C290.094 (3)0.067 (2)0.064 (2)0.007 (2)0.029 (2)0.0299 (19)
C300.059 (2)0.057 (2)0.0516 (19)0.0061 (16)0.0185 (16)0.0220 (16)
Geometric parameters (Å, º) top
S1—C81.727 (3)C9—C101.374 (3)
S1—C71.815 (3)C9—C141.376 (3)
S2—C161.726 (3)C10—C111.375 (3)
S2—C151.826 (3)C10—H100.9300
S3—C241.733 (3)C11—C121.371 (4)
S3—C231.822 (3)C11—H110.9300
N1—C81.317 (3)C12—C131.372 (4)
N1—N21.371 (3)C12—H120.9300
N2—N31.295 (3)C13—C141.383 (4)
N3—N41.359 (3)C13—H130.9300
N4—C81.347 (3)C14—H140.9300
N4—C91.435 (3)C15—H15A0.9700
N5—C161.326 (3)C15—H15B0.9700
N5—N61.369 (3)C17—C181.366 (4)
N6—N71.290 (3)C17—C221.373 (4)
N7—N81.359 (3)C18—C191.383 (4)
N8—C161.349 (3)C18—H180.9300
N8—C171.434 (3)C19—C201.378 (5)
N9—C241.324 (3)C19—H190.9300
N9—N101.358 (3)C20—C211.366 (5)
N10—N111.291 (3)C20—H200.9300
N11—N121.373 (3)C21—C221.364 (4)
N12—C241.349 (3)C21—H210.9300
N12—C251.434 (3)C22—H220.9300
C1—C61.382 (3)C23—H23A0.9700
C1—C21.390 (3)C23—H23B0.9700
C1—C71.510 (3)C25—C261.373 (4)
C2—C31.379 (3)C25—C301.377 (4)
C2—H20.9300C26—C271.376 (4)
C3—C41.390 (3)C26—H260.9300
C3—C231.506 (3)C27—C281.367 (5)
C4—C51.380 (3)C27—H270.9300
C4—H40.9300C28—C291.374 (5)
C5—C61.393 (3)C28—H280.9300
C5—C151.501 (3)C29—C301.375 (4)
C6—H60.9300C29—H290.9300
C7—H7A0.9700C30—H300.9300
C7—H7B0.9700
C8—S1—C7101.39 (12)C12—C13—C14120.7 (3)
C16—S2—C15100.66 (14)C12—C13—H13119.7
C24—S3—C2399.17 (13)C14—C13—H13119.7
C8—N1—N2105.4 (2)C9—C14—C13118.5 (3)
N3—N2—N1111.4 (2)C9—C14—H14120.7
N2—N3—N4105.9 (2)C13—C14—H14120.7
C8—N4—N3108.4 (2)C5—C15—S2112.71 (18)
C8—N4—C9130.0 (2)C5—C15—H15A109.1
N3—N4—C9121.6 (2)S2—C15—H15A109.1
C16—N5—N6105.5 (3)C5—C15—H15B109.1
N7—N6—N5111.2 (3)S2—C15—H15B109.1
N6—N7—N8106.6 (2)H15A—C15—H15B107.8
C16—N8—N7108.0 (2)N5—C16—N8108.7 (3)
C16—N8—C17130.5 (3)N5—C16—S2128.4 (2)
N7—N8—C17121.4 (2)N8—C16—S2122.9 (2)
C24—N9—N10105.4 (2)C18—C17—C22120.9 (3)
N11—N10—N9111.8 (2)C18—C17—N8120.3 (3)
N10—N11—N12106.2 (2)C22—C17—N8118.7 (3)
C24—N12—N11107.2 (2)C17—C18—C19119.4 (3)
C24—N12—C25132.9 (2)C17—C18—H18120.3
N11—N12—C25119.8 (2)C19—C18—H18120.3
C6—C1—C2119.0 (2)C20—C19—C18119.6 (4)
C6—C1—C7122.2 (2)C20—C19—H19120.2
C2—C1—C7118.7 (2)C18—C19—H19120.2
C3—C2—C1121.1 (2)C21—C20—C19120.0 (3)
C3—C2—H2119.4C21—C20—H20120.0
C1—C2—H2119.4C19—C20—H20120.0
C2—C3—C4118.7 (2)C22—C21—C20120.7 (3)
C2—C3—C23120.2 (2)C22—C21—H21119.7
C4—C3—C23121.0 (2)C20—C21—H21119.7
C5—C4—C3121.5 (2)C21—C22—C17119.4 (3)
C5—C4—H4119.3C21—C22—H22120.3
C3—C4—H4119.3C17—C22—H22120.3
C4—C5—C6118.6 (2)C3—C23—S3106.95 (17)
C4—C5—C15120.4 (2)C3—C23—H23A110.3
C6—C5—C15121.0 (2)S3—C23—H23A110.3
C1—C6—C5121.0 (2)C3—C23—H23B110.3
C1—C6—H6119.5S3—C23—H23B110.3
C5—C6—H6119.5H23A—C23—H23B108.6
C1—C7—S1106.64 (17)N9—C24—N12109.4 (2)
C1—C7—H7A110.4N9—C24—S3125.5 (2)
S1—C7—H7A110.4N12—C24—S3125.1 (2)
C1—C7—H7B110.4C26—C25—C30121.0 (3)
S1—C7—H7B110.4C26—C25—N12119.1 (3)
H7A—C7—H7B108.6C30—C25—N12119.8 (3)
N1—C8—N4108.9 (2)C25—C26—C27118.6 (3)
N1—C8—S1128.1 (2)C25—C26—H26120.7
N4—C8—S1123.00 (19)C27—C26—H26120.7
C10—C9—C14121.0 (2)C28—C27—C26121.2 (4)
C10—C9—N4119.4 (2)C28—C27—H27119.4
C14—C9—N4119.6 (2)C26—C27—H27119.4
C11—C10—C9119.8 (2)C27—C28—C29119.5 (3)
C11—C10—H10120.1C27—C28—H28120.2
C9—C10—H10120.1C29—C28—H28120.2
C12—C11—C10119.9 (3)C30—C29—C28120.4 (3)
C12—C11—H11120.1C30—C29—H29119.8
C10—C11—H11120.1C28—C29—H29119.8
C13—C12—C11120.1 (3)C29—C30—C25119.3 (3)
C13—C12—H12119.9C29—C30—H30120.4
C11—C12—H12119.9C25—C30—H30120.4
C8—N1—N2—N30.4 (3)C4—C5—C15—S2106.8 (2)
N1—N2—N3—N40.5 (3)C6—C5—C15—S272.3 (3)
N2—N3—N4—C80.5 (3)C16—S2—C15—C5102.0 (2)
N2—N3—N4—C9179.4 (2)N6—N5—C16—N80.2 (3)
C16—N5—N6—N70.2 (4)N6—N5—C16—S2177.9 (2)
N5—N6—N7—N80.1 (4)N7—N8—C16—N50.1 (3)
N6—N7—N8—C160.0 (3)C17—N8—C16—N5177.6 (3)
N6—N7—N8—C17177.8 (3)N7—N8—C16—S2178.1 (2)
C24—N9—N10—N110.1 (3)C17—N8—C16—S20.6 (4)
N9—N10—N11—N120.2 (3)C15—S2—C16—N50.5 (3)
N10—N11—N12—C240.3 (3)C15—S2—C16—N8177.4 (2)
N10—N11—N12—C25176.2 (2)C16—N8—C17—C1856.4 (4)
C6—C1—C2—C30.0 (4)N7—N8—C17—C18126.4 (3)
C7—C1—C2—C3177.2 (2)C16—N8—C17—C22124.6 (3)
C1—C2—C3—C40.5 (4)N7—N8—C17—C2252.6 (4)
C1—C2—C3—C23179.4 (2)C22—C17—C18—C190.8 (5)
C2—C3—C4—C50.3 (4)N8—C17—C18—C19179.8 (3)
C23—C3—C4—C5179.2 (2)C17—C18—C19—C201.5 (6)
C3—C4—C5—C60.5 (4)C18—C19—C20—C211.3 (6)
C3—C4—C5—C15178.7 (2)C19—C20—C21—C220.6 (5)
C2—C1—C6—C50.8 (4)C20—C21—C22—C170.1 (5)
C7—C1—C6—C5176.3 (2)C18—C17—C22—C210.1 (5)
C4—C5—C6—C11.1 (4)N8—C17—C22—C21179.0 (3)
C15—C5—C6—C1178.1 (2)C2—C3—C23—S393.3 (3)
C6—C1—C7—S189.2 (3)C4—C3—C23—S385.5 (3)
C2—C1—C7—S188.0 (2)C24—S3—C23—C3179.05 (19)
C8—S1—C7—C1147.64 (19)N10—N9—C24—N120.1 (3)
N2—N1—C8—N40.0 (3)N10—N9—C24—S3178.6 (2)
N2—N1—C8—S1180.0 (2)N11—N12—C24—N90.2 (3)
N3—N4—C8—N10.3 (3)C25—N12—C24—N9175.3 (2)
C9—N4—C8—N1179.1 (2)N11—N12—C24—S3178.48 (19)
N3—N4—C8—S1179.73 (18)C25—N12—C24—S33.3 (4)
C9—N4—C8—S11.0 (4)C23—S3—C24—N91.1 (3)
C7—S1—C8—N11.9 (3)C23—S3—C24—N12179.6 (2)
C7—S1—C8—N4178.1 (2)C24—N12—C25—C26140.5 (3)
C8—N4—C9—C1049.9 (4)N11—N12—C25—C2634.1 (4)
N3—N4—C9—C10131.4 (3)C24—N12—C25—C3040.5 (4)
C8—N4—C9—C14129.8 (3)N11—N12—C25—C30144.8 (2)
N3—N4—C9—C1448.8 (3)C30—C25—C26—C270.3 (5)
C14—C9—C10—C111.3 (4)N12—C25—C26—C27178.6 (3)
N4—C9—C10—C11178.4 (2)C25—C26—C27—C280.1 (5)
C9—C10—C11—C121.1 (4)C26—C27—C28—C290.4 (6)
C10—C11—C12—C130.0 (4)C27—C28—C29—C300.6 (5)
C11—C12—C13—C140.9 (5)C28—C29—C30—C250.4 (5)
C10—C9—C14—C130.3 (4)C26—C25—C30—C290.1 (4)
N4—C9—C14—C13179.4 (2)N12—C25—C30—C29178.8 (2)
C12—C13—C14—C90.8 (4)
 

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