Information card for entry 2211034

Structure parameters

• Common name: N-butoxycarbonyl-diphenylphosphinyl-hydroxylamine
• Chemical name: tert-Butyl N-(phosphinoyloxy)carbamate
• Formula: C17 H20 N O4 P
• Calculated formula: C17 H20 N O4 P
• SMILES: P(=O)(ONC(=O)OC(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: <i>tert</i>-Butyl <i>N</i>-(phosphinoyloxy)carbamate
• Authors of publication: Blatch, Alexandrea J.; Howard, Judith A. K.; Probert, Michael R.; Smethurst, Christian A.; Whiting, Andrew
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5346 - o5348
• a: 12.181 ± 0.001 Å
• b: 13.734 ± 0.001 Å
• c: 16.532 ± 0.001 Å
• α: 101.1 ± 0.01°
• β: 96.77 ± 0.01°
• γ: 92.93 ± 0.01°
• Cell volume: 2687.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes