Information card for entry 1519598

Structure parameters

• Formula: C19 H25 B
• Calculated formula: C19 H25 B
• SMILES: B(c1c(C)cc(C)cc1C)(c1c(cc(C)cc1C)C)C
• Title of publication: C38H50B2
• Authors of publication: Pelter, Andy; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 894
• a: 8.297 ± 0.0012 Å
• b: 7.898 ± 0.003 Å
• c: 24.122 ± 0.004 Å
• α: 90°
• β: 92.36 ± 0.02°
• γ: 90°
• Cell volume: 1579.4 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.2552
• Residual factor for significantly intense reflections: 0.1406
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No