Information card for entry 4129863

Structure parameters

• Formula: C17 H26 O3
• Calculated formula: C17 H26 O3
• SMILES: O[C@H]1CC[C@]2([C@H]([C@@]1(C=O)C)CC[C@H]1CCC(=O)[C@]21C)C.O[C@@H]1CC[C@@]2([C@@H]([C@]1(C=O)C)CC[C@@H]1CCC(=O)[C@@]21C)C
• Title of publication: A Concise Approach to Paxilline Indole Diterpenes.
• Authors of publication: George, David T.; Kuenstner, Eric J.; Pronin, Sergey V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 49
• Pages of publication: 15410 - 15413
• a: 10.5923 ± 0.0006 Å
• b: 11.5633 ± 0.0006 Å
• c: 12.5018 ± 0.0007 Å
• α: 90°
• β: 98.1413 ± 0.0007°
• γ: 90°
• Cell volume: 1515.81 ± 0.14 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 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 all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No