Information card for entry 2223603

Structure parameters

• Chemical name: 3-(6-Methyl-2-pyridyl)-2-phenyl-3,4-dihydro-1,3,2-benzoxazaphosphinine 2-oxide
• Formula: C19 H17 N2 O2 P
• Calculated formula: C19 H17 N2 O2 P
• SMILES: P1(=O)(Oc2c(CN1c1nc(ccc1)C)cccc2)c1ccccc1
• Title of publication: 3-(6-Methyl-2-pyridyl)-2-phenyl-3,4-dihydro-1,3,2-benzoxazaphosphinine 2-oxide
• Authors of publication: Surendra Babu, V. H. H.; Krishnaiah, M.; Anil Kumar, M.; Suresh Reddy, C.; Kant, Rajni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2696 - o2697
• a: 7.2238 ± 0.0008 Å
• b: 8.6573 ± 0.0008 Å
• c: 13.7265 ± 0.0014 Å
• α: 95.216 ± 0.008°
• β: 94.397 ± 0.009°
• γ: 94.33 ± 0.009°
• Cell volume: 849.42 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0799
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes