Information card for entry 2228946

Structure parameters

• Common name: methylbenzoxazole diphenylphosphinate
• Chemical name: 2-Methyl-1,3-benzoxazol-4-yl diphenylphosphinate
• Formula: C20 H16 N O3 P
• Calculated formula: C20 H16 N O3 P
• SMILES: Cc1oc2cccc(c2n1)OP(=O)(c1ccccc1)c1ccccc1
• Title of publication: 2-Methyl-1,3-benzoxazol-4-yl diphenylphosphinate
• Authors of publication: Kleinhans, Dewald J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o339
• a: 9.4239 ± 0.0004 Å
• b: 15.7574 ± 0.0006 Å
• c: 23.5398 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3495.6 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1003
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes