Information card for entry 1518467

Structure parameters

• Formula: C18 H26 O4
• Calculated formula: C18 H26 O4
• SMILES: O[C@@H]1c2c(OC)ccc(OC)c2CC(=CCC[C@H](CO)C1)C.O[C@H]1c2c(OC)ccc(OC)c2CC(=CCC[C@@H](CO)C1)C
• Title of publication: Total synthesis of clavilactone B: a radical cyclization-fragmentation strategy.
• Authors of publication: Suizu, Hiroshi; Shigeoka, Daisuke; Aoyama, Hiroshi; Yoshimitsu, Takehiko
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 126 - 129
• a: 7.1391 ± 0.0015 Å
• b: 7.5445 ± 0.0014 Å
• c: 15.455 ± 0.004 Å
• α: 88.709 ± 0.007°
• β: 83.268 ± 0.005°
• γ: 76.661 ± 0.006°
• Cell volume: 804.4 ± 0.3 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 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 all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.687
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No