Information card for entry 2228803

Structure parameters

• Chemical name: Diphenyl (2-chlorobenzylamido)phosphate
• Formula: C19 H17 Cl N O3 P
• Calculated formula: C19 H17 Cl N O3 P
• SMILES: Clc1ccccc1CNP(=O)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Diphenyl (2-chlorobenzylamido)phosphate
• Authors of publication: Pourayoubi, Mehrdad; Zargaran, Poorya; Rheingold, Arnold L.; Golen, James A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o5
• a: 8.6178 ± 0.0005 Å
• b: 9.5901 ± 0.0006 Å
• c: 12.1543 ± 0.0007 Å
• α: 107.609 ± 0.001°
• β: 93.882 ± 0.001°
• γ: 110.036 ± 0.001°
• Cell volume: 882.86 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes