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Information card for entry 1516488
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| Coordinates | 1516488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-[cis, cis-2,3-bis(Benzyloxymethyl)cyclopropyl] 1-[4-carbomethoxyphenyl] methanone |
|---|---|
| Formula | C28 H28 O5 |
| Calculated formula | C28 H28 O5 |
| SMILES | O(C(=O)c1ccc(C(=O)C2[C@H](COCc3ccccc3)[C@@H]2COCc2ccccc2)cc1)C |
| Title of publication | Asymmetric synthesis in a Norrish type II cleavage reaction induced by crystal chirality |
| Authors of publication | Charette, André B.; Chong, Kenneth C. W.; Fournier, Jean-François; Patrick, Brian; Scheffer, John R. |
| Journal of publication | Photochemical & Photobiological Sciences |
| Year of publication | 2003 |
| Journal volume | 2 |
| Journal issue | 11 |
| Pages of publication | 1052 - 1055 |
| a | 17.2708 ± 0.0019 Å |
| b | 5.714 ± 0.0005 Å |
| c | 23.476 ± 0.003 Å |
| α | 90° |
| β | 98.234 ± 0.005° |
| γ | 90° |
| Cell volume | 2292.9 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 17 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0962 |
| Residual factor for significantly intense reflections | 0.0648 |
| Weighted residual factors for significantly intense reflections | 0.1106 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1516488.cif |
| 173443 | 2016-01-04 | cif/ (antanas@kurmis) Updating bibliographies for multiple entries. |
1516488.cif |
| 115431 | 2014-06-03 | cif/ Adding structures of 1516488 via cif-deposit CGI script. |
1516488.cif |
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Users of the data should acknowledge the original authors of the
structural data.