Information card for entry 4323815

Structure parameters

• Common name: Dimesityl-phenyl-borane
• Chemical name: Dimesityl-phenyl-borane
• Formula: C24 H27 B
• Calculated formula: C24 H27 B
• SMILES: c1(c(cc(cc1C)C)C)B(c1c(cc(cc1C)C)C)c1ccccc1
• Title of publication: Electronic Structure of π-Conjugated Redox Systems with Borane/Borataalkene End Groups
• Authors of publication: Jan Fiedler; Stanislav Zališ; Axel Klein; Fridmann M. Hornung; Wolfgang Kaim
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 3039 - 3043
• a: 13.324 ± 0.003 Å
• b: 9.143 ± 0.002 Å
• c: 16.303 ± 0.003 Å
• α: 90°
• β: 98.93 ± 0.03°
• γ: 90°
• Cell volume: 1962 ± 0.7 ų
• Ambient diffraction temperature: 180 ± 3 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1432
• Weighted residual factors for significantly intense reflections: 0.1318
• Goodness-of-fit parameter for all reflections: 0.864
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No