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Information card for entry 1504583
Preview
| Coordinates | 1504583.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C24 H20 O4 |
|---|---|
| Calculated formula | C24 H20 O4 |
| SMILES | O[C@@H]1c2c(c3cc(OC)ccc3cc2)c2c([C@H]1O)ccc1c2cc(OC)cc1 |
| Title of publication | An efficient and versatile approach for optical resolution of C2-symmetric axially chiral biaryl dials. Synthesis of enantiopure biaryl-derived cyclic trans-1,2-diols. |
| Authors of publication | Zhu, Chen; Shi, Yun; Xu, Ming-Hua; Lin, Guo-Qiang |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 6 |
| Pages of publication | 1243 - 1246 |
| a | 10.634 ± 0.002 Å |
| b | 6.6025 ± 0.0013 Å |
| c | 13.996 ± 0.003 Å |
| α | 90° |
| β | 109.982 ± 0.004° |
| γ | 90° |
| Cell volume | 923.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1116 |
| Weighted residual factors for all reflections included in the refinement | 0.121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.862 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1504583.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504583.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504583.cif |
| 42196 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504583 via cif-deposit CGI script. |
1504583.cif |
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Users of the data should acknowledge the original authors of the
structural data.