Information card for entry 1506634

Structure parameters

• Formula: C11 H19 Br O2
• Calculated formula: C11 H19 Br O2
• SMILES: BrCC[C@]1(O)[C@H]2C[C@@](O)([C@@]1(CC2)C)C
• Title of publication: Unusual cyclopropanation of 9-bromocamphor derivatives: a novel formal C(1)-C(7) bond cleavage of camphor.
• Authors of publication: Li, Wei-Dong Z; Yang, Yu-Rong
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 14
• Pages of publication: 3107 - 3110
• a: 7.2349 ± 0.0015 Å
• b: 7.3055 ± 0.0015 Å
• c: 44.21 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2336.7 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No