Information card for entry 2017495

Structure parameters

• Chemical name: (4-nitrophenylimino)triphenylphosphorane
• Formula: C24 H19 N2 O2 P
• Calculated formula: C24 H19 N2 O2 P
• SMILES: P(=Nc1ccc(N(=O)=O)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and structures of substituted triphenyl(phenylimino)phosphoranes
• Authors of publication: De Borger, Roeland; Collas, Alain; Dommisse, Roger; Blockhuys, Frank
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o50 - o54
• a: 9.118 ± 0.002 Å
• b: 17.536 ± 0.004 Å
• c: 14.245 ± 0.004 Å
• α: 90°
• β: 117.591 ± 0.017°
• γ: 90°
• Cell volume: 2018.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes