Information card for entry 2230632

Structure parameters

• Chemical name: 2,4,5-Triphenyl-1,3,2-dioxaphospholan-2-one
• Formula: C20 H17 O3 P
• Calculated formula: C20 H17 O3 P
• SMILES: P1(=O)(O[C@H]([C@H](O1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 2,4,5-Triphenyl-1,3,2-dioxaphospholan-2-one
• Authors of publication: Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1790
• a: 16.744 ± 0.012 Å
• b: 6.098 ± 0.004 Å
• c: 17.3 ± 0.013 Å
• α: 90°
• β: 111.81 ± 0.015°
• γ: 90°
• Cell volume: 1640 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• 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: 0.1351
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.2166
• Weighted residual factors for all reflections included in the refinement: 0.256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes