Information card for entry 2238839

Structure parameters

• Chemical name: (1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>R</i>)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one
• Formula: C16 H24 Br2 O
• Calculated formula: C16 H24 Br2 O
• SMILES: O=C1[C@H](C)CC[C@]23[C@H]1C(C)(C)CCC[C@]2(C3(Br)Br)C
• Title of publication: (1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>R</i>)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one
• Authors of publication: Benharref, Ahmed; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1777 - o1778
• a: 6.5975 ± 0.0002 Å
• b: 15.2612 ± 0.0003 Å
• c: 8.2688 ± 0.0002 Å
• α: 90°
• β: 100.045 ± 0.003°
• γ: 90°
• Cell volume: 819.79 ± 0.04 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No