Information card for entry 1519306

Structure parameters

• Formula: C32 H29 N3 O3 S
• Calculated formula: C32 H29 N3 O3 S
• SMILES: c1ccccc1NC(=O)c1c(c(c(C(=O)Nc2ccccc2)[nH]1)c1ccccc1)c1ccccc1.CS(C)=O
• Title of publication: N,N'-Diphenyl-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide dimethylsulfoxide solvate
• Authors of publication: Hursthouse, Michael B.; Coles, Simon J.; Light, Mark E.; Chapman, C. P.; Tizzard, G. J.; Camiolo, S.; Gale, Phil A.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 125
• a: 9.686 ± 0.0002 Å
• b: 18.6429 ± 0.0004 Å
• c: 15.5603 ± 0.0003 Å
• α: 90°
• β: 104.503 ± 0.005°
• γ: 90°
• Cell volume: 2720.27 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No