Information card for entry 1519342

Structure parameters

• Formula: C26 H31 N3 O2
• Calculated formula: C26 H31 N3 O2
• SMILES: CCCCNC(=O)c1c(c(c(C(=O)NCCCC)[nH]1)c1ccccc1)c1ccccc1
• Title of publication: N,N'-Di-n-butyl-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide
• Authors of publication: Coles, Simon J.; Chapman, C. P.; Light, Mark E.; Tizzard, G. J.; Camiolo, S.; Gale, Phil A.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 114
• a: 25.5294 ± 0.0005 Å
• b: 18.9718 ± 0.0005 Å
• c: 9.713 ± 0.0002 Å
• α: 90°
• β: 103.111 ± 0.002°
• γ: 90°
• Cell volume: 4581.75 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No