Information card for entry 4027529

Structure parameters

• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: O1[C@@H](C[C@@H]([C@@]21C(=O)C=C(C(=O)C2)C)C=C)C(O)(C)C.O1[C@H](C[C@H]([C@]21C(=O)C=C(C(=O)C2)C)C=C)C(O)(C)C
• Title of publication: Total Synthesis of Natural Enantiomers of Heliespirones A and Cviathe Diastereoselective Intramolecular Hosomi-Sakurai Reaction
• Authors of publication: Akari Miyawaki; Daisuke Kikuchi; Masu Niki; Yuki Manabe; Makoto Kanematsu; Hiromasa Yokoe; Masahiro Yoshida; Kozo Shishido
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8231 - 8243
• a: 12.92 ± 0.02 Å
• b: 6.86 ± 0.02 Å
• c: 15.68 ± 0.03 Å
• α: 90°
• β: 95.1 ± 0.2°
• γ: 90°
• Cell volume: 1384 ± 5 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No