Information card for entry 1519268

Structure parameters

• Formula: C11 H15 B O2
• Calculated formula: C11 H15 B O2
• SMILES: OB(/C=C/CCCc1ccccc1)O
• Title of publication: (E)-5-Phenyl-pent-1-enyl-boronic acid
• Authors of publication: Gelbrich, Thomas; Sampson, David; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 528
• a: 7.515 ± 0.0002 Å
• b: 9.3921 ± 0.0002 Å
• c: 30.7365 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2169.43 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No