Information card for entry 2239229

Structure parameters

• Chemical name: (1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-9,10-Epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane
• Formula: C16 H26 O
• Calculated formula: C16 H26 O
• SMILES: CC1(C)CCC[C@@]2([C@]3([C@@H]1[C@@H]1O[C@]1(C)CC3)C2)C
• Title of publication: (1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-9,10-Epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane
• Authors of publication: Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o480
• a: 10.5563 ± 0.001 Å
• b: 5.7548 ± 0.0005 Å
• c: 11.7096 ± 0.0013 Å
• α: 90°
• β: 92.777 ± 0.008°
• γ: 90°
• Cell volume: 710.52 ± 0.12 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes