Information card for entry 2236733

Structure parameters

• Chemical name: 4-Diphenylphosphanyl-1,5-naphthyridine
• Formula: C20 H15 N2 P
• Calculated formula: C20 H15 N2 P
• SMILES: P(c1c2ncccc2ncc1)(c1ccccc1)c1ccccc1
• Title of publication: 4-Diphenylphosphanyl-1,5-naphthyridine
• Authors of publication: Wu, Ya-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3011
• a: 10.1103 ± 0.0007 Å
• b: 11.702 ± 0.0008 Å
• c: 15.706 ± 0.0011 Å
• α: 71.54 ± 0.03°
• β: 75.05 ± 0.03°
• γ: 71.37 ± 0.03°
• Cell volume: 1644.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0694
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes