Information card for entry 7701413

Structure parameters

• Formula: C22 H34 B Cl2 N
• Calculated formula: C22 H34 B Cl2 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: 9.272 ± 0.0002 Å
• b: 15.9647 ± 0.0003 Å
• c: 15.382 ± 0.0003 Å
• α: 90°
• β: 106.311 ± 0.001°
• γ: 90°
• Cell volume: 2185.27 ± 0.08 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No