Information card for entry 2239433

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=C/C(=N\c2ccccc2)C(=C/C1=N\c1ccccc1)Nc1ccccc1
• Title of publication: <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; Maruyama, Haruki; Fujihara, Takashi; Nagasawa, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o303 - o304
• a: 8.8858 ± 0.0012 Å
• b: 10.054 ± 0.0013 Å
• c: 13.2256 ± 0.0018 Å
• α: 93.343 ± 0.003°
• β: 106.76 ± 0.003°
• γ: 98.53 ± 0.003°
• Cell volume: 1112.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes