Information card for entry 2017494

Structure parameters

• Chemical name: (4-cyanophenylimino)triphenylphosphorane
• Formula: C25 H19 N2 P
• Calculated formula: C25 H19 N2 P
• SMILES: P(=Nc1ccc(cc1)C#N)(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: 8.581 ± 0.003 Å
• b: 13.862 ± 0.001 Å
• c: 17.17 ± 0.004 Å
• α: 90°
• β: 104.53 ± 0.02°
• γ: 90°
• Cell volume: 1977 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0852
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No