Information card for entry 2212663

Structure parameters

• Chemical name: (1S,3R,6S,7R)-3,7-Dichloro-trans-himachalane
• Formula: C15 H26 Cl2
• Calculated formula: C15 H26 Cl2
• SMILES: [C@H]12C[C@](CC[C@@H]1[C@](CCCC2(C)C)(C)Cl)(C)Cl
• Title of publication: (1<i>S</i>,3<i>R</i>,6<i>S</i>,7<i>R</i>)-3,7-Dichloro-<i>trans</i>-himachalane
• Authors of publication: Ourhriss, Najia; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha; Benharref, Ahmed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1497 - o1499
• a: 6.0259 ± 0.0004 Å
• b: 15.6356 ± 0.0009 Å
• c: 16.0117 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1508.6 ± 0.17 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• 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: 0.0386
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes