Information card for entry 4106263

Structure parameters

• Formula: C27 H36 O4
• Calculated formula: C27 H36 O4
• SMILES: O1[C@]2(C(=CC[C@H]3[C@]2(CC[C@@H]2[C@]3(C)CCC(=O)C[C@@H]2C)C)C)Cc2c(=O)oc(c(C)c12)C
• Title of publication: Enantiocontrolled Total Syntheses of Breviones A, B, and C
• Authors of publication: Hiromasa Yokoe; Chika Mitsuhashi; Yoko Matsuoka; Tomoyuki Yoshimura; Masahiro Yoshida; Kozo Shishido
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8854 - 8857
• a: 6.366 ± 0.003 Å
• b: 13.087 ± 0.006 Å
• c: 14.032 ± 0.005 Å
• α: 90°
• β: 105.29 ± 0.03°
• γ: 90°
• Cell volume: 1127.7 ± 0.9 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No