Information card for entry 1519266

Structure parameters

• Formula: C9 H14 Cl2 O
• Calculated formula: C9 H14 Cl2 O
• SMILES: Cl[C@]12C[C@H](Cl)[C@H]1CC[C@@](O)(C2)C.Cl[C@@]12C[C@@H](Cl)[C@@H]1CC[C@](O)(C2)C
• Title of publication: 1,7-Dichloro-3-methyl-bicyclo[4.2.0]octan-3-ol
• Authors of publication: Gelbrich, Thomas; Peron, G.; Hursthouse, Michael B.; Kilburn, Jeremy D.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2000
• Pages of publication: 402
• a: 10.7087 ± 0.001 Å
• b: 11.4437 ± 0.0013 Å
• c: 13.708 ± 0.0015 Å
• α: 110.139 ± 0.004°
• β: 91.011 ± 0.004°
• γ: 96.298 ± 0.004°
• Cell volume: 1564.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No