Information card for entry 2008626

Structure parameters

• Formula: C11 H15 O2 P
• Calculated formula: C11 H15 O2 P
• SMILES: [P@]1(=O)(c2ccccc2)CCC[C@@H]1CO
• Title of publication: (2<i>R</i>,<i>S</i>~P~)-2-Hydroxymethyl-1-phenylphospholane 1-oxide
• Authors of publication: Deng, Jingen; He, Ze; Yu, Kaibai; Mi, Aiqiao; Jiang, Yaozhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: IUC9900060
• a: 5.91 ± 0.001 Å
• b: 11.21 ± 0.002 Å
• c: 15.961 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1057.4 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for all reflections: 0.984
• Goodness-of-fit parameter for significantly intense reflections: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No