Information card for entry 2228412

Structure parameters

• Chemical name: (1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>)-2,2-Dichloro- 3,7,7,10-tetramethyl-9,10-epoxytricyclo[6.4.0.0^1,3^]dodecane
• Formula: C16 H24 Cl2 O
• Calculated formula: C16 H24 Cl2 O
• SMILES: [C@@]123C([C@@]1(CCCC([C@H]2[C@@H]1[C@@](CC3)(C)O1)(C)C)C)(Cl)Cl
• Title of publication: (1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-9,10-epoxytricyclo[6.4.0.0^1,3^]dodecane
• Authors of publication: Benharref, Ahmed; El Ammari, Lahcen; Avignant, Daniel; Oudahmane, Abdelghani; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3125
• a: 8.4995 ± 0.0003 Å
• b: 10.2461 ± 0.0004 Å
• c: 18.1656 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1581.98 ± 0.1 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: 0.0512
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes