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Information card for entry 4024514
Preview
| Coordinates | 4024514.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H24 O6 |
|---|---|
| Calculated formula | C26 H24 O6 |
| SMILES | O(C12C3(C4(OC)C1([C@@H]1[C@H]2c2ccccc2[C@H]3[C@H]4c2ccccc12)C(=O)OC)C(=O)OC)C.O(C12C3(C4(OC)C1([C@H]1[C@@H]2c2ccccc2[C@@H]3[C@@H]4c2ccccc12)C(=O)OC)C(=O)OC)C |
| Title of publication | γ-Cyclodextrin-Directed Enantioselective Photocyclodimerization of Methyl 3-Methoxyl-2-naphthoate |
| Authors of publication | Lin Luo; Gui-Hong Liao; Xiao-Ling Wu; Lei Lei; Chen-Ho Tung; Li-Zhu Wu |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 3506 - 3515 |
| a | 8.6542 ± 0.0012 Å |
| b | 13.1501 ± 0.0015 Å |
| c | 18.9821 ± 0.0018 Å |
| α | 90.359 ± 0.004° |
| β | 98.88 ± 0.006° |
| γ | 97.362 ± 0.005° |
| Cell volume | 2116 ± 0.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0909 |
| Residual factor for significantly intense reflections | 0.0736 |
| Weighted residual factors for significantly intense reflections | 0.1489 |
| Weighted residual factors for all reflections included in the refinement | 0.1587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178424 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/45. |
4024514.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024514.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024514.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024514.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024514.cif |
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Users of the data should acknowledge the original authors of the
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