Information card for entry 2241666

Structure parameters

• Chemical name: (1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-2,2-Dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one
• Formula: C16 H24 Cl2 O2
• Calculated formula: C16 H24 Cl2 O2
• Title of publication: Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one
• Authors of publication: Benzalim, Ahmed; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 709 - 711
• a: 9.6745 ± 0.0003 Å
• b: 13.9432 ± 0.0006 Å
• c: 23.3654 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3151.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes