Information card for entry 4118437

Structure parameters

• Formula: C32 H33 N O7
• Calculated formula: C30 H30 O7
• SMILES: O1[C@H]2[C@@H](CCC(=C)[C@H]3[C@@H]2[C@@]2(C(=O)C3)C3=C4[C@](O)(CC2)CC[C@@H]2[C@H](OC(=O)C2=C)[C@H]4C(=C)C3=O)C(=C)C1=O
• Title of publication: Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B
• Authors of publication: Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 12414 - 12417
• a: 9.988 ± 0.005 Å
• b: 7.091 ± 0.003 Å
• c: 19.356 ± 0.009 Å
• α: 90°
• β: 94.828 ± 0.009°
• γ: 90°
• Cell volume: 1366 ± 1.1 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No