Information card for entry 2010664

Structure parameters

• Formula: C23 H19 N2 O3 P
• Calculated formula: C23 H19 N2 O3 P
• SMILES: P(=O)(c1c(noc1C(=O)Nc1ccccc1)C)(c1ccccc1)c1ccccc1
• Title of publication: 4-(Diphenylphosphinoyl)-3-methyl-<i>N</i>-phenyl-1,2-isoxazole-5-carboxamide
• Authors of publication: Reeske, Gregor; Schürmann, Markus; Preut, Hans; Mitchell, Terence Nigel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: e72 - e72
• a: 7.4055 ± 0.0002 Å
• b: 10.3008 ± 0.0004 Å
• c: 13.6543 ± 0.0005 Å
• α: 79.896 ± 0.001°
• β: 79.283 ± 0.002°
• γ: 85.338 ± 0.002°
• Cell volume: 1006.27 ± 0.06 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes