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Information card for entry 4101608
Preview
| Coordinates | 4101608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H34 O8 |
|---|---|
| Calculated formula | C32 H34 O8 |
| SMILES | O(c1c(c2ccc(OC)cc2)c(c2c(c3ccc(OC)cc3)c(OC)ccc2O)c(O)cc1)C.O(C(=O)C)CC |
| Title of publication | Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange. |
| Authors of publication | Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Journal issue | 1 |
| Pages of publication | 18 - 20 |
| a | 8.0008 ± 0.0002 Å |
| b | 19.2436 ± 0.0004 Å |
| c | 36.6855 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5648.3 ± 0.2 Å3 |
| Cell temperature | 84 ± 2 K |
| Ambient diffraction temperature | 84 ± 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 | 0.1094 |
| Residual factor for significantly intense reflections | 0.0971 |
| Weighted residual factors for significantly intense reflections | 0.2532 |
| Weighted residual factors for all reflections included in the refinement | 0.2642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4101608.cif |
| 178762 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/16. |
4101608.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4101608.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101608.cif |
| 21737 | 2011-06-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4101608 via cif-deposit CGI script. |
4101608.cif |
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Users of the data should acknowledge the original authors of the
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