Information card for entry 7221564

Structure parameters

• Formula: C20 H20 O3
• Calculated formula: C20 H20 O3
• SMILES: O(C[C@H]1[C@H](C2c3c(cccc3)C1c1c2cccc1)CO)C(=O)C.O(C[C@@H]1[C@@H](C2c3c(cccc3)C1c1c2cccc1)CO)C(=O)C
• 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: 8.2328 ± 0.0005 Å
• b: 8.8177 ± 0.0004 Å
• c: 11.1343 ± 0.0007 Å
• α: 95.635 ± 0.004°
• β: 97.037 ± 0.005°
• γ: 95.431 ± 0.004°
• Cell volume: 793.65 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0618
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No