Information card for entry 2222770

Structure parameters

• Chemical name: 3-(6-Methyl-2-pyridyl)-2-phenoxy-3,4-dihydro-1,3,2-benzoxazaphosphirine 2-oxide
• Formula: C19 H17 N2 O3 P
• Calculated formula: C19 H17 N2 O3 P
• SMILES: O=P1(Oc2c(cccc2)CN1c1nc(ccc1)C)Oc1ccccc1
• Title of publication: 3-(6-Methyl-2-pyridyl)-2-phenoxy-3,4-dihydro-1,3,2-benzoxazaphosphirine 2-oxide
• Authors of publication: Kant, Rajni; Kohli, Sabeta; Sarmal, Lovely; Krishnaiah, M.; Babu, V. H. H. Surendra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2003
• a: 9.2852 ± 0.0007 Å
• b: 14.2972 ± 0.0011 Å
• c: 13.3446 ± 0.0008 Å
• α: 90°
• β: 104.545 ± 0.007°
• γ: 90°
• Cell volume: 1714.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes