Information card for entry 7701414

Structure parameters

• Formula: C30 H48 B N
• Calculated formula: C30 H48 B N
• Title of publication: Reactions of BICAAC with hydroboranes: propensity for Lewis adduct formation and carbene insertion into B-H bond
• Authors of publication: Manar, Krishna Kumar; porwal, vishal kumar; Kamte, Rohit S.; Adhikari, Manu; Thakur, Sandeep Kumar; Bawari, Deependra; Roychoudhury, Angshuman; Singh, Sanjay
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 15.72 ± 0.003 Å
• b: 10.4248 ± 0.0017 Å
• c: 16.049 ± 0.003 Å
• α: 90°
• β: 98.578 ± 0.004°
• γ: 90°
• Cell volume: 2600.7 ± 0.8 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No