Information card for entry 4030715

Structure parameters

• Formula: C20 H30 O4
• Calculated formula: C20 H30 O4
• SMILES: O([C@@H]1C[C@H]([C@]23C=C[C@]([C@@H]4OC(O[C@H]24)(C)C)(C([C@@H]13)(C)C)C)C)C(=O)C.O([C@H]1C[C@@H]([C@@]23C=C[C@@]([C@H]4OC(O[C@@H]24)(C)C)(C([C@H]13)(C)C)C)C)C(=O)C
• Title of publication: Chemoenzymatic Routes to Enantiomerically Enriched and Polyoxygenated Perhydro-3,5a-methanoindeno[4,5-c]furans Related to the Tashironin Class of Sesquiterpene.
• Authors of publication: Sharma, Mukesh K.; Banwell, Martin Gerhardt; Willis, Anthony Creswick
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Pages of publication: 150224113214000
• a: 7.1052 ± 0.0002 Å
• b: 8.8559 ± 0.0003 Å
• c: 15.3747 ± 0.0006 Å
• α: 101.83 ± 0.002°
• β: 92.394 ± 0.002°
• γ: 98.705 ± 0.003°
• Cell volume: 933.31 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9721
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No