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Information card for entry 1516615
Preview
| Coordinates | 1516615.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H25 N O2 |
|---|---|
| Calculated formula | C22 H25 N O2 |
| SMILES | N([C@]([C@H]1CCCC(=C1)C)(c1ccccc1)C(=O)OC)c1ccccc1.N([C@@]([C@@H]1CCCC(=C1)C)(c1ccccc1)C(=O)OC)c1ccccc1 |
| Title of publication | Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide |
| Authors of publication | Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst |
| Journal of publication | Photochemical & Photobiological Sciences |
| Year of publication | 2002 |
| Journal volume | 1 |
| Journal issue | 9 |
| Pages of publication | 696 - 703 |
| a | 14.56 ± 0.004 Å |
| b | 6.584 ± 0.002 Å |
| c | 20.801 ± 0.005 Å |
| α | 90° |
| β | 109.42 ± 0.02° |
| γ | 90° |
| Cell volume | 1880.6 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.2126 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.1176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.706 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1516615.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. |
1516615.cif |
| 173443 | 2016-01-04 | cif/ (antanas@kurmis) Updating bibliographies for multiple entries. |
1516615.cif |
| 132163 | 2015-02-21 | cif/1/51/66/ (antanas@koala.ibt.lt) Updating bibliography for CIFs 1516615, 1516616, 1516617. |
1516615.cif |
| 116900 | 2014-06-14 | cif/ Adding structures of 1516614, 1516615, 1516616, 1516617 via cif-deposit CGI script. |
1516615.cif |
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