Information card for entry 2238243

Structure parameters

• Chemical name: (1<i>S</i>,2<i>R</i>,7<i>R</i>,8<i>S</i>,10<i>R</i>)-9,9-Dibromo-2,6,6,10-tetramethyl-1α,2α-epoxytricyclo[5.5.0.0^8,10^]dodecane
• Formula: C16 H24 Br2 O
• Calculated formula: C16 H24 Br2 O
• SMILES: CC1(C)CCC[C@@]2([C@]3([C@@H]1[C@@H]1C([C@]1(C)CC3)(Br)Br)O2)C
• Title of publication: (1<i>S</i>,2<i>R</i>,7<i>R</i>,8<i>S</i>,10<i>R</i>)-9,9-Dibromo-2,6,6,10-tetramethyl-1α,2α-epoxytricyclo[5.5.0.0^8,10^]dodecane
• Authors of publication: Benharref, Ahmed; El Karroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1037 - o1038
• a: 8.8056 ± 0.0013 Å
• b: 15.648 ± 0.003 Å
• c: 12.139 ± 0.0016 Å
• α: 90°
• β: 91.769 ± 0.01°
• γ: 90°
• Cell volume: 1671.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No