Information card for entry 2229523

Structure parameters

• Chemical name: (1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2-Dichloro-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol
• Formula: C16 H24 Cl2 O
• Calculated formula: C16 H24 Cl2 O
• SMILES: [C@@]123C([C@@]1(CCCC([C@H]2C=C([C@H](C3)O)C)(C)C)C)(Cl)Cl
• Title of publication: (1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol
• Authors of publication: Benharref, Ahmed; Lassaba, Essêdiya; Avignant, Daniel; Oudahmane, Abdelghani; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o615
• a: 13.2323 ± 0.0013 Å
• b: 13.2323 ± 0.0013 Å
• c: 7.9807 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1210.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes