Information card for entry 1571245

Structure parameters

• Formula: C32 H23 Br Cl3 N2 O2 P
• Calculated formula: C32 H23 Br Cl3 N2 O2 P
• Title of publication: Cobalt- or rhodium-catalyzed synthesis of 1,2-dihydrophosphete oxides <i>via</i> C-H activation and formal phosphoryl migration.
• Authors of publication: Xu, Shengbo; Mi, Ruijie; Zheng, Guangfan; Li, Xingwei
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 6012 - 6021
• a: 9.3848 ± 0.0002 Å
• b: 11.5366 ± 0.0003 Å
• c: 14.8861 ± 0.0004 Å
• α: 79.747 ± 0.001°
• β: 83.521 ± 0.001°
• γ: 72.5 ± 0.001°
• Cell volume: 1509.53 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No