Information card for entry 2227859

Structure parameters

• Chemical name: 8-(Diphenylphosphanyl)quinoline
• Formula: C21 H16 N P
• Calculated formula: C21 H16 N P
• SMILES: P(c1cccc2cccnc12)(c1ccccc1)c1ccccc1
• Title of publication: 8-(Diphenylphosphanyl)quinoline
• Authors of publication: Nag, Samik; Cibian, Mihaela; Hanan, Garry S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2847
• a: 10.7804 ± 0.0002 Å
• b: 16.6905 ± 0.0003 Å
• c: 9.7753 ± 0.0002 Å
• α: 90°
• β: 112.651 ± 0.001°
• γ: 90°
• Cell volume: 1623.21 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0411
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes