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Information card for entry 7150794
Preview
| Coordinates | 7150794.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Diethyl-1-(2-(5-(alloyoxy)-2,4-dimethoxyphenyl)-1-oxopropan-2- yl)hydrazine-1,2-dicarboxylate |
|---|---|
| Chemical name | Diethyl-1-(2-(5-(alloyoxy)-2,4-dimethoxyphenyl)-1-oxopropan-2-yl)hydrazine- 1,2-dicarboxylate |
| Formula | C20 H28 N2 O8 |
| Calculated formula | C20 H28 N2 O8 |
| SMILES | O=C[C@@](C)(N(C(=O)OCC)NC(=O)OCC)c1c(OC)cc(OC)c(OCC=C)c1 |
| Title of publication | Towards an asymmetric synthesis of the bacterial peptide deformylase (PDF) inhibitor fumimycin |
| Authors of publication | Hartmann, Caroline E.; Gross, Patrick J.; Nieger, Martin; Bräse, Stefan |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 24 |
| Pages of publication | 5059 - 5062 |
| a | 8.681 ± 0.001 Å |
| b | 9.784 ± 0.001 Å |
| c | 24.875 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2112.8 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0837 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150794.cif |
| 180293 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/07. |
7150794.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7150794.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150794.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150794.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150794.cif |
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Users of the data should acknowledge the original authors of the
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