Information card for entry 1519292

Structure parameters

• Formula: C45 H31.5 N7.5 O9
• Calculated formula: C45 H31.5 N7.5 O9
• Title of publication: N,N'-bis(4-Nitrophenyl)-3,4-diphenyl-1H-pyrrole-2,5-dicarboxamide
• Authors of publication: Light, Mark E.; Hursthouse, Michael B.; Gale, Phil A.; Camiolo, S.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 120
• a: 32.285 ± 0.002 Å
• b: 11.8982 ± 0.0006 Å
• c: 19.8475 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7624.1 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.3726
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No