Information card for entry 2239253

Structure parameters

• Chemical name: 1-[(1<i>S</i>,6<i>R</i>,7<i>S</i>,9<i>R</i>)-8,8-Dibromo-5,5,9-trimethyltricyclo[4.4.0.1^7,9^]decan-1-yl]ethanone
• Formula: C16 H24 Br2 O
• Calculated formula: C16 H24 Br2 O
• SMILES: CC(=O)[C@@]12CCCC([C@H]2[C@H]2[C@@](CC1)(C2(Br)Br)C)(C)C
• Title of publication: 1-[(1<i>S</i>,6<i>R</i>,7<i>S</i>,9<i>R</i>)-8,8-Dibromo-5,5,9-trimethyltricyclo[4.4.0.1^7,9^]decan-1-yl]ethanone
• Authors of publication: Zaki, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o444
• a: 13.5013 ± 0.0019 Å
• b: 14.042 ± 0.002 Å
• c: 17.213 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3263.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes