Information card for entry 4028496

Structure parameters

• Formula: C14 H18 O2
• Calculated formula: C14 H18 O2
• SMILES: O=C1C[C@H]2CC[C@H](C)C(=O)[C@@]32CC(=C)[C@H]1C3.O=C1C[C@@H]2CC[C@@H](C)C(=O)[C@]32CC(=C)[C@@H]1C3
• Title of publication: Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach
• Authors of publication: Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 7912 - 7929
• a: 12.636 ± 0.0002 Å
• b: 7.0137 ± 0.0001 Å
• c: 14.3915 ± 0.001 Å
• α: 90°
• β: 114.714 ± 0.008°
• γ: 90°
• Cell volume: 1158.62 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes