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Information card for entry 7153844
Preview
| Coordinates | 7153844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 N2 O5 S |
|---|---|
| Calculated formula | C20 H18 N2 O5 S |
| SMILES | S(=O)(=O)(NC(c1ccccc1)/C(=C\c1occc1)N(=O)=O)c1ccc(cc1)C |
| Title of publication | Synthesis and anticancer activity studies of alpha-aminoalkylated conjugated nitroalkenes. |
| Authors of publication | Rastogi, Namrata; Mohan, Renu; Panda, Dulal; Mobin, Shaikh M.; Namboothiri, Irishi N. N. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2006 |
| Journal volume | 4 |
| Journal issue | 17 |
| Pages of publication | 3211 - 3214 |
| a | 8.8738 ± 0.0008 Å |
| b | 12.5069 ± 0.0013 Å |
| c | 17.5191 ± 0.0011 Å |
| α | 96.519 ± 0.006° |
| β | 92.166 ± 0.006° |
| γ | 96.945 ± 0.008° |
| Cell volume | 1915 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1953 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1154 |
| Weighted residual factors for all reflections included in the refinement | 0.1476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7151271 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
7153844.cif |
| 180324 | 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 7/15/38. |
7153844.cif |
| 125318 | 2014-10-14 | cif/7 Fixing some Z values and formulae |
7153844.cif |
| 114163 | 2014-05-22 | cif/ Adding structures of 7153844 via cif-deposit CGI script. |
7153844.cif |
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Users of the data should acknowledge the original authors of the
structural data.