Information card for entry 2237869

Structure parameters

• Chemical name: 4-Diphenylphosphanyl-8-methyl-1,5-naphthyridine
• Formula: C21 H17 N2 P
• Calculated formula: C21 H17 N2 P
• SMILES: Cc1ccnc2c1nccc2P(c1ccccc1)c1ccccc1
• Title of publication: 4-Diphenylphosphanyl-8-methyl-1,5-naphthyridine
• Authors of publication: Chen, Chen; Wang, Kun-Yan; Liu, Jin-Fang; Wang, Dan-Feng; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o928
• a: 7.232 ± 0.0014 Å
• b: 7.447 ± 0.0015 Å
• c: 16.78 ± 0.003 Å
• α: 99.78 ± 0.03°
• β: 93.35 ± 0.03°
• γ: 98.58 ± 0.03°
• Cell volume: 877.4 ± 0.3 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: 0.0803
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes