Information card for entry 4129864

Structure parameters

• Formula: C24 H32 O3
• Calculated formula: C24 H32 O3
• SMILES: O=C1CC[C@@H]2CC[C@H]3[C@]4(CO[C@@H](O[C@@H]4CC[C@]3([C@@]12C)C)c1ccccc1)C.O=C1CC[C@H]2CC[C@@H]3[C@@]4(CO[C@H](O[C@H]4CC[C@@]3([C@]12C)C)c1ccccc1)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: 10.0498 ± 0.0004 Å
• b: 12.6817 ± 0.0005 Å
• c: 30.279 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3859 ± 0.3 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No