Information card for entry 1504584

Structure parameters

• Formula: C13 H18 O3
• Calculated formula: C13 H18 O3
• SMILES: O1[C@H]2C(=C(C1=O)C)CC[C@@](O)([C@H](C2)C)C=C
• Title of publication: Total synthesis of (+)- and (-)-sundiversifolide via intramolecular acylation and determination of the absolute configuration.
• Authors of publication: Ohtsuki, Keiko; Matsuo, Kazumasa; Yoshikawa, Takashi; Moriya, Chihiro; Tomita-Yokotani, Kaori; Shishido, Kozo; Shindo, Mitsuru
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 1247 - 1250
• a: 9.0773 ± 0.0013 Å
• b: 10.2119 ± 0.0014 Å
• c: 12.5888 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1166.9 ± 0.3 ų
• Cell temperature: 123.1 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: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No