Information card for entry 4123257

Structure parameters

• Formula: C12 H24 N O P
• Calculated formula: C12 H24 N O P
• Title of publication: A Phosphetane Catalyzes Deoxygenative Condensation of α-Keto Esters and Carboxylic Acids via P(III)/P(V)═O Redox Cycling.
• Authors of publication: Zhao, Wei; Yan, Patrick K.; Radosevich, Alexander T.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 2
• Pages of publication: 616 - 619
• a: 6.0522 ± 0.0011 Å
• b: 9.8966 ± 0.0018 Å
• c: 11.401 ± 0.002 Å
• α: 94.862 ± 0.004°
• β: 93.274 ± 0.004°
• γ: 100.155 ± 0.004°
• Cell volume: 668 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0541
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No