Information card for entry 7124271

Structure parameters

• Formula: C38 H38 B2 N6
• Calculated formula: C38 H38 B2 N6
• Title of publication: Bicyclic (amino)(borata)carbene derived from diazadiborinine and isonitrile
• Authors of publication: Wang, Baolin; Koshino, Kota; Kinjo, Rei
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.9487 ± 0.0003 Å
• b: 20.3068 ± 0.0007 Å
• c: 17.8492 ± 0.0008 Å
• α: 90°
• β: 97.5939 ± 0.0014°
• γ: 90°
• Cell volume: 3215.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No