Information card for entry 4321026

Structure parameters

• Formula: C16 H18 B Cl O
• Calculated formula: C16 H18 B Cl O
• SMILES: Cl[B]([O]1CCCC1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal Structure of the Molecular Addition Compound Diphenylchloroborane.Tetrahydrofuran
• Authors of publication: Wendy I. Cross; Matthew P. Lightfoot; Francis S. Mair; Robin G. Pritchard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2690 - 2692
• a: 9.087 ± 0.002 Å
• b: 14.019 ± 0.004 Å
• c: 11.68 ± 0.002 Å
• α: 90°
• β: 108.324 ± 0.01°
• γ: 90°
• Cell volume: 1412.5 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No