Information card for entry 2241783

Structure parameters

• Chemical name: (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>)-2,2-Dichloro-3,7,7-trimethyl-10-methylenetricyclo[6.4.0.0^1,3^]dodecan-9-ol
• Formula: C16 H24 Cl2 O
• Calculated formula: C16 H24 Cl2 O
• Title of publication: Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>)-2,2-dichloro-3,7,7-trimethyl-10-methylenetricyclo[6.4.0.0^1,3^]dodecan-9-ol
• Authors of publication: Benzalim, Ahmed; Auhmani, Aziz; Bimoussa, Abdoullah; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 8
• Pages of publication: 1163 - 1166
• a: 12.3075 ± 0.0004 Å
• b: 13.9332 ± 0.0007 Å
• c: 18.6716 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3201.9 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes