Information card for entry 8101196

Structure parameters

• Formula: C20 H24 O5
• Calculated formula: C20 H24 O5
• SMILES: o1c(=O)c2[C@@]([C@@H](Oc2c2c(cc(O)cc12)C)C)(C)CC/C=C(CO)/C
• Title of publication: Crystal structure of 11-hydroxy-5-(5-hydroxy-4-methylpent-3-enyl)- 4,5,13-trimethyl-3,8-dioxatricyclo[7.4.0.0^2,6^]trideca-1(13),2(6), 9(10),11-tetraen-7-one, C~20~H~24~O~5~
• Authors of publication: Zukerman-Schpector, J.; Camillo, Robinson L.; Lemos, Francisco C. D.; Truiti, M. C. T.; Sarragiotto, Maria Helena
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 145 - 146
• a: 7.1256 ± 0.001 Å
• b: 14.871 ± 0.002 Å
• c: 16.954 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1796.6 ± 0.4 ų
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1126
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No