Information card for entry 2204836

Structure parameters

• Chemical name: 8β-Hydroxy-2,6,6-trimethyl-5βH,10βH-eudesma-1,7(11)-dien-12,8-olide
• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: C1=C(CC[C@H]2C(C3=CC(=O)O[C@]3(C[C@@H]12)O)(C)C)C
• Title of publication: 8β-Hydroxy-2,6,6-trimethyl-5β<i>H</i>,10β<i>H</i>-eudesma-1,7(11)-dien-12,8-olide
• Authors of publication: Guang-Wen Zhang; Cheng-Zhu Liao; Xiang-Quan Ma; Cui-Xian Zhang; Hiroshi Kurihara; Xin-Sheng Yao; Jing-Yu Su; Long-Mei Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o172 - o173
• a: 7.1843 ± 0.0009 Å
• b: 8.7554 ± 0.0011 Å
• c: 21.31 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1340.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• 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 all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes