Information card for entry 2239491

Structure parameters

• Chemical name: (1<i>S</i>,2<i>R</i>,3<i>S</i>,6<i>S</i>,7<i>R</i>)-3,7,11,11-Tetramethyl-6,7-epoxybicyclo[5.4.0]undecane-2-ol
• Formula: C15 H26 O2
• Calculated formula: C15 H26 O2
• SMILES: C[C@H]1CC[C@@]23[C@H]([C@@H]1O)C(C)(C)CCC[C@]3(O2)C
• Title of publication: (1<i>S</i>,2<i>R</i>,3<i>S</i>,6<i>S</i>,7<i>R</i>)-3,7,11,11-Tetramethyl-6,7-epoxybicyclo[5.4.0]undecane-2-ol
• Authors of publication: Loubidi, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o595
• a: 5.9617 ± 0.001 Å
• b: 12.068 ± 0.002 Å
• c: 9.5909 ± 0.0015 Å
• α: 90°
• β: 95.789 ± 0.008°
• γ: 90°
• Cell volume: 686.51 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0524
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes