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Information card for entry 7113812
Preview
| Coordinates | 7113812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H51 Ge N O3 |
|---|---|
| Calculated formula | C45 H51 Ge N O3 |
| SMILES | [Ge]1([C@@H](C(=O)OC)N[C@@H](c2ccccc2)C21c1ccccc1c1ccccc21)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.CCOCC.[Ge]1([C@H](C(=O)OC)N[C@H](c2ccccc2)C21c1ccccc1c1ccccc21)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.CCOCC |
| Title of publication | The use of a germene for the synthesis of esters of α-germyl-substituted α-amino acid and α-aminophosphonic acid |
| Authors of publication | Ech-Cherif El Kettani, S.; Escudié, J.; Couret, C.; Ranaivonjatovo, H.; Lazraq, M.; Soufiaoui, M.; Gornitzka, H.; Cretiu Nemes, G. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 14 |
| Pages of publication | 1662 - 1663 |
| a | 11.9777 ± 0.0007 Å |
| b | 12.1155 ± 0.0007 Å |
| c | 14.554 ± 0.0008 Å |
| α | 101.825 ± 0.001° |
| β | 95.774 ± 0.001° |
| γ | 108.611 ± 0.001° |
| Cell volume | 1927.47 ± 0.19 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.0864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103758 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210513 (current) | 2018-09-07 | cif/7/ Updating bibliography in entries 7103758, 7113812. Marking entry 7113812 as a duplicate of entry 7103758. |
7113812.cif |
| 180252 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38. |
7113812.cif |
| 115285 | 2014-06-02 | cif/ Adding structures of 7113812 via cif-deposit CGI script. |
7113812.cif |
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Users of the data should acknowledge the original authors of the
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