Information card for entry 7133349

Structure parameters

• Formula: C17 H22 B Br N2 O4
• Calculated formula: C17 H22 B Br N2 O4
• Title of publication: Synthesis of chiral boranes <i>via</i> asymmetric insertion of carbenes into B-H bonds catalyzed by the rhodium(I) diene complex.
• Authors of publication: Ankudinov, Nikita M.; Komarova, Alina A.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Danshina, Anastasia A.; Perekalin, Dmitry S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 65
• Pages of publication: 8601 - 8604
• a: 8.2775 ± 0.0003 Å
• b: 8.4391 ± 0.0004 Å
• c: 27.6673 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1932.69 ± 0.15 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No