Information card for entry 2209754

Structure parameters

• Chemical name: 5,5-Dimethyl-2-(naphthalen-1-yloxy)-1,3,2-dioxaphosphinane 2-oxide
• Formula: C15 H17 O4 P
• Calculated formula: C15 H17 O4 P
• SMILES: P1(=O)(OCC(CO1)(C)C)Oc1c2c(ccc1)cccc2
• Title of publication: 5,5-Dimethyl-2-(naphthalen-1-yloxy)-1,3,2-dioxaphosphinane 2-oxide
• Authors of publication: Li, Zheng-Qiu; Sheng, Xi-Jun; Zuo, Na; Ren, Qing-Yun; He, Hong-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3501 - o3502
• a: 6.6577 ± 0.0011 Å
• b: 9.2835 ± 0.0015 Å
• c: 12.1075 ± 0.0019 Å
• α: 90°
• β: 99.834 ± 0.002°
• γ: 90°
• Cell volume: 737.3 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes