Information card for entry 2009588

Structure parameters

• Chemical name: endo-(1R^*^,9R^*^,10R^*^)-9,10-Dimethoxy-12,15,15- trimethyltricyclo[9.3.1.0^3,8^]pentadeca-3(8),11-diene-4,13-dione
• Formula: C20 H28 O4
• Calculated formula: C20 H28 O4
• SMILES: CO[C@@H]1C2=C(C[C@H]3C(C(=C(C)C(=O)C3)[C@H]1OC)(C)C)C(=O)CCC2.CO[C@H]1C2=C(C[C@@H]3C(C(=C(C)C(=O)C3)[C@@H]1OC)(C)C)C(=O)CCC2
• Title of publication: <i>endo</i>-(1<i>R</i>*,9<i>R</i>*,10<i>R</i>*)-9,10-Dimethoxy-12,15,15-trimethyltricyclo[9.3.1.0^3,8^]pentadeca-3(8),11-diene-4,13-dione
• Authors of publication: Takenaka, Yasuyuki; Ono, Taizo; Uchida, Akira; Ohashi, Yuji; Furukawa, Takashi; Horiguchi, Yoshiaki; Kuwajima, Isao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 556 - 558
• a: 8.287 ± 0.001 Å
• b: 15.228 ± 0.002 Å
• c: 7.679 ± 0.001 Å
• α: 104.8 ± 0.02°
• β: 109.75 ± 0.02°
• γ: 93.23 ± 0.02°
• Cell volume: 870.9 ± 0.3 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 5.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No