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Information card for entry 2020041
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| Coordinates | 2020041.cif |
|---|---|
| Structure factors | 2020041.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>S</i>)-2-(Anthracen-9-yl)-<i>N</i>-<i>tert</i>-butyl-2-[<i>N</i>-(4-methylphenyl)ferrocenylformamido]acetamide |
|---|---|
| Formula | C38 H36 Fe N2 O2 |
| Calculated formula | C38 H36 Fe N2 O2 |
| Title of publication | Two novel ferrocenyl dipeptide-like compounds generated <i>via</i> the Ugi four-component reaction |
| Authors of publication | Shao, Guang-Kui; Zhao, Mei; Wei, Zheng; Ma, Jian-Ping; Guo, Dian-Shun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| a | 13.0787 ± 0.0003 Å |
| b | 14.4271 ± 0.0004 Å |
| c | 16.1873 ± 0.0004 Å |
| α | 90° |
| β | 93.491 ± 0.002° |
| γ | 90° |
| Cell volume | 3048.68 ± 0.13 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0596 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020041.cif 2020041.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2020041.cif 2020041.hkl |
| 141458 | 2015-07-09 | cif/ hkl/ Adding structures of 2020040, 2020041 via cif-deposit CGI script. |
2020041.cif 2020041.hkl |
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Users of the data should acknowledge the original authors of the
structural data.