Information card for entry 2224700

Structure parameters

• Chemical name: Diphenyl (benzylamido)phosphate
• Formula: C19 H18 N O3 P
• Calculated formula: C19 H18 N O3 P
• SMILES: P(=O)(Oc1ccccc1)(Oc1ccccc1)NCc1ccccc1
• Title of publication: Diphenyl (benzylamido)phosphate
• Authors of publication: Pourayoubi, Mehrdad; Eshtiagh-Hosseini, Hossein; Zargaran, Poorya; Divjakovic, Vladimir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o204
• a: 10.0226 ± 0.0005 Å
• b: 19.245 ± 0.0008 Å
• c: 10.2273 ± 0.0005 Å
• α: 90°
• β: 115.375 ± 0.006°
• γ: 90°
• Cell volume: 1782.37 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes