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Information card for entry 7221565
Preview
| Coordinates | 7221565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H23 Cl O4 |
|---|---|
| Calculated formula | C23 H23 Cl O4 |
| SMILES | Cl[C@@H](C(=O)OC[C@@H]1[C@H](COC(=O)C)C2c3c(C1c1c2cccc1)cccc3)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 | 10.5625 ± 0.0003 Å |
| b | 12.0642 ± 0.0004 Å |
| c | 15.9997 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2038.81 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0504 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1316 |
| Weighted residual factors for all reflections included in the refinement | 0.1363 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
7221565.cif |
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Users of the data should acknowledge the original authors of the
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