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Information card for entry 7221564
Preview
| Coordinates | 7221564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 152127 (current) | 2015-07-16 | cif/ Adding structures of 7221563, 7221564, 7221565 via cif-deposit CGI script. |
7221564.cif |
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Users of the data should acknowledge the original authors of the
structural data.