Information card for entry 7701415

Structure parameters

• Formula: C66 H99 B3 F9 N3
• Calculated formula: C66 H99 B3 F9 N3
• 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: 17.837 ± 0.0005 Å
• b: 23.3635 ± 0.0007 Å
• c: 15.3109 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6380.6 ± 0.4 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No