Information card for entry 7128696

Structure parameters

• Formula: C23 H32 B9 Cl2 N
• Calculated formula: C23 H32 B9 Cl2 N
• Title of publication: Photoredox B-H functionalization to selective B-N(sp³) coupling of nido-carborane with primary and secondary amines.
• Authors of publication: Huang, Ronghui; Zhao, Weijia; Xu, Shengwen; Xu, Jingkai; Li, Chunxiao; Lu, Changsheng; Yan, Hong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 69
• Pages of publication: 8580 - 8583
• a: 6.9564 ± 0.0003 Å
• b: 11.0803 ± 0.0005 Å
• c: 17.5164 ± 0.0008 Å
• α: 81.973 ± 0.002°
• β: 88.116 ± 0.002°
• γ: 82.705 ± 0.002°
• Cell volume: 1325.94 ± 0.1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0975
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No