Information card for entry 2226115

Structure parameters

• Chemical name: Bis[4-(diphenylmethyleneamino)phenyl]methanone
• Formula: C39 H28 N2 O
• Calculated formula: C39 H28 N2 O
• SMILES: C(=O)(c1ccc(cc1)N=C(c1ccccc1)c1ccccc1)c1ccc(cc1)N=C(c1ccccc1)c1ccccc1
• Title of publication: Bis[4-(diphenylmethyleneamino)phenyl]methanone
• Authors of publication: Bernès, Sylvain; Hernández, Guadalupe; Portillo, Roberto; Cruz, Sandra; Gutiérrez, René
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1322 - o1323
• a: 11.1723 ± 0.001 Å
• b: 11.3487 ± 0.0013 Å
• c: 13.2331 ± 0.0015 Å
• α: 103.121 ± 0.009°
• β: 105.17 ± 0.008°
• γ: 108.746 ± 0.008°
• Cell volume: 1441.9 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes