Information card for entry 2207641

Structure parameters

• Chemical name: 5,5-Dimethyl-2-oxo-4-phenyl-2-(2-pyridylamino)-1,3,2-dioxaphosphorinane
• Formula: C16 H19 N2 O3 P
• Calculated formula: C16 H19 N2 O3 P
• SMILES: c1ccccc1C1C(C)(C)COP(=O)(Nc2ncccc2)O1
• Title of publication: 5,5-Dimethyl-2-oxo-4-phenyl-2-(2-pyridylamino)-1,3,2-dioxaphosphorinane
• Authors of publication: Yan Yu; Chang Liu; Xingyu Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4270 - o4271
• a: 10.3775 ± 0.0009 Å
• b: 7.4406 ± 0.0007 Å
• c: 20.639 ± 0.0018 Å
• α: 90°
• β: 96.231 ± 0.002°
• γ: 90°
• Cell volume: 1584.2 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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 all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No