Information card for entry 1557513

Structure parameters

• Formula: C16 H21 N2 O0.1 P
• Calculated formula: C16 H21 N2 O0.1 P
• Title of publication: Diazaphosphinanes as hydride, hydrogen atom, proton or electron donors under transition-metal-free conditions: thermodynamics, kinetics, and synthetic applications
• Authors of publication: Zhang, Jingjing; Yang, Jin-Dong; Cheng, Jin-Pei
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 14
• Pages of publication: 3672 - 3679
• a: 8.613 ± 0.0019 Å
• b: 17.7 ± 0.008 Å
• c: 9.511 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1450 ± 0.8 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.1192
• Weighted residual factors for significantly intense reflections: 0.3078
• Weighted residual factors for all reflections included in the refinement: 0.3238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No