Information card for entry 2019743

Structure parameters

• Common name: Dendocarbin A
• Chemical name: (1<i>R</i>,5a<i>S</i>,9a<i>S</i>,9b<i>R</i>)-5,5a,6,7,8,9,9a,9b-Octahydro-1-hydroxy-6,6,9a-trimethylnaphtho[1,2-c]furan-3(1H)-one
• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• SMILES: O[C@@H]1OC(=O)C2=CC[C@H]3C(CCC[C@@]3([C@@H]12)C)(C)C
• Title of publication: Dendocarbin A: a sesquiterpene lactone from <i>Drimys winteri</i>
• Authors of publication: Paz Robles, Cristian; Burgos, Viviana; Suarez, Sebastián; Baggio, Ricardo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: 1007 - 1010
• a: 6.335 ± 0.004 Å
• b: 13.399 ± 0.005 Å
• c: 16.613 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1410.2 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.1063
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes