Information card for entry 7124171

Structure parameters

• Formula: C62 H64 B2 N4 O4 P2
• Calculated formula: C62 H64 B2 N4 O4 P2
• Title of publication: 1,1-Phosphinoboration of Diazomethanes
• Authors of publication: Trofimova, Alina; LaFortune, James; Qu, Zheng-wang; Westcott, Stephen; Stephan, Douglas W.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.1822 ± 0.0004 Å
• b: 19.0995 ± 0.0007 Å
• c: 29.5034 ± 0.0011 Å
• α: 90°
• β: 96.455 ± 0.002°
• γ: 90°
• Cell volume: 5701.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• 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: 0.0957
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No