Information card for entry 2204699

Structure parameters

• Chemical name: t-Butyl diphenylphosphinate
• Formula: C16 H19 O2 P
• Calculated formula: C16 H19 O2 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl diphenylphosphinate
• Authors of publication: I. Darren Grice; Ian D. Jenkins; W. Ken Busfield; Karl A. Byriel; Colin H. L. Kennard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2384 - o2385
• a: 11.53 ± 0.002 Å
• b: 17.118 ± 0.002 Å
• c: 15.285 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3016.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2419
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes