Information card for entry 7221563

Structure parameters

• Formula: C20 H20 O3
• Calculated formula: C20 H20 O3
• SMILES: O(C(=O)C)C[C@@H]1C2c3c(C(c4ccccc24)[C@@H]1CO)cccc3
• Title of publication: Lipase catalyzed desymmetrization of roof shape cis-11,12-bis(hydroxymethyl)-9,10-dihydro-9,10-ethanoanthracene
• Authors of publication: Bedekar, Ashutosh; Jain, Nilesh
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.3527 ± 0.00018 Å
• b: 13.6016 ± 0.0004 Å
• c: 15.7824 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1578.37 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No