Information card for entry 7701410

Structure parameters

• Formula: C28 H38 B N O2
• Calculated formula: C28 H38 B N O2
• 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: 10.1548 ± 0.0009 Å
• b: 15.6206 ± 0.0013 Å
• c: 16.2411 ± 0.0014 Å
• α: 72.926 ± 0.002°
• β: 83.939 ± 0.002°
• γ: 89.112 ± 0.002°
• Cell volume: 2448.6 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0651
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No