Information card for entry 2202963

Structure parameters

• Formula: C29 H40 O7
• Calculated formula: C29 H40 O7
• SMILES: O1C(=O)O[C@@H]2[C@]31CC[C@]([C@@H](O)[C@]1([C@H]2[C@@H](OCOC)CC[C@@H]1OCc1ccccc1)C)(C(=C)C3(C)C)C
• Title of publication: (+)-(1<i>S</i>,2<i>S</i>,4<i>S</i>,4a<i>R</i>,5<i>R</i>,6<i>S</i>,9<i>S</i>,10<i>S</i>)-4-Benzyloxy-9,10-(carbonyldioxy)-1-methoxymethoxy-4a,6,8,8-tetramethyl-7-methylenedodecahydro-6,9-ethanobenzocyclooctene-5-ol
• Authors of publication: Ohba, Shigeru; Chinen, Ayako; Matsumoto, Yuki; Chida, Noritaka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1476 - o1477
• a: 13.754 ± 0.002 Å
• b: 21.026 ± 0.007 Å
• c: 9.1287 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2639.9 ± 1 ų
• Cell temperature: 297 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 significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes