Information card for entry 2206208

Structure parameters

• Chemical name: 2-benzylamino-4-phenyl-5,5-dimethyl-1,3,2-dioxaphosphorinane-2-oxide
• Formula: C18 H22 N O3 P
• Calculated formula: C18 H22 N O3 P
• SMILES: c1(ccccc1)CNP1(=O)OC(C(CO1)(C)C)c1ccccc1
• Title of publication: 2-Benzylamino-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinane 2-oxide
• Authors of publication: Wan, Shi-Guan; Liu, Chang; Yu, Yan; Yang, Xing-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2117 - o2119
• a: 9.1916 ± 0.001 Å
• b: 9.9676 ± 0.0011 Å
• c: 10.0055 ± 0.0011 Å
• α: 86.049 ± 0.002°
• β: 72.405 ± 0.002°
• γ: 79.7 ± 0.002°
• Cell volume: 859.61 ± 0.16 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No