Information card for entry 2239225

Structure parameters

• Chemical name: <i>N</i>^1^,<i>N</i>^4^-Diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine
• Formula: C30 H24 N4
• Calculated formula: C30 H24 N4
• SMILES: c1ccc(cc1)NC1=CC(=N\c2ccccc2)/C(=C/C1=N\c1ccccc1)Nc1ccccc1
• Title of publication: An orthorhombic polymorph of <i>N</i>^1^,<i>N</i>^4^-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine
• Authors of publication: Ohno, Keiji; Fujihara, Takashi; Nagasawa, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o495 - o496
• a: 9.1927 ± 0.0005 Å
• b: 12.4711 ± 0.0007 Å
• c: 18.9806 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2176 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes