Information card for entry 2200115

Structure parameters

• Formula: C32 H50 O
• Calculated formula: C32 H50 O
• SMILES: O([C@@H]1C(=C)CC[C@]23[C@H]1C(CCC[C@]2(C3)C)(C)C)[C@@H]1C(=CC[C@]23[C@H]1C(CCC[C@]2(C3)C)(C)C)C
• Title of publication: (1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>)-3,7,7,10-Tétraméthyl-9-[(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>)-3,7,7-triméthyl-10-méthylènetricyclo[6,4,0,0^1,3^]dodéc-9-yloxy]tricyclo[6,4,0,0^1,3^]dodéc-10-ène
• Authors of publication: Auhmani, A.; Kossareva, E.; Eljamili, H.; Reglier, M.; Pierrot, M.; Benharref, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: o102 - o103
• a: 8.7475 ± 0.0002 Å
• b: 15.553 ± 0.001 Å
• c: 20.359 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2769.8 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• 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: 0.098
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for all reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections: 2.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes