Information card for entry 7108443

Structure parameters

• Formula: C36 H15 B Cl F18
• Calculated formula: C36 H15 B Cl F18
• Title of publication: Facile synthesis of electrophilic vinyl boranes: reactions of alkynyl-borates and diazonium salts
• Authors of publication: Xiaoxi Zhao; Liyuan Liang; Douglas W. Stephan
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10189
• a: 10.7455 ± 0.0005 Å
• b: 16.6985 ± 0.0007 Å
• c: 18.411 ± 0.0009 Å
• α: 90°
• β: 92.803 ± 0.002°
• γ: 90°
• Cell volume: 3299.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 0.647
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No