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Information card for entry 7220762
Preview
| Coordinates | 7220762.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-(6-chloro-4-oxo-4H-chromen-3-yl)-2-(methylamino)-3-nitropyrano[3,2-c]chromen-5(4H)-one |
|---|---|
| Formula | C23 H14 Cl4 N2 O7 |
| Calculated formula | C23 H14 Cl4 N2 O7 |
| SMILES | c1(=O)c2c(c3c(cccc3)o1)OC(=C(C2c1c(=O)c2cc(ccc2oc1)Cl)N(=O)=O)NC.C(Cl)(Cl)Cl |
| Title of publication | Synthesis, characterization and biological evaluation of chromen and pyrano chromen-5-one derivatives impregnated into a novel collagen based scaffold for tissue engineering application |
| Authors of publication | Kandhasamy, Subramani; Ramanathan, Giriprasath; Jayabal, Kamalraja; Balaji, Ravichandran; Narayanasamy, Mathivanan; Tirichurapalli Sivagnanam, Uma; Paramasivan Thirumalai, Perumal |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 8.3716 ± 0.0002 Å |
| b | 11.6435 ± 0.0003 Å |
| c | 13.1018 ± 0.0004 Å |
| α | 86.455 ± 0.001° |
| β | 88.251 ± 0.001° |
| γ | 69.841 ± 0.001° |
| Cell volume | 1196.51 ± 0.06 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1429 |
| Weighted residual factors for all reflections included in the refinement | 0.1541 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 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. |
7220762.cif |
| 139157 | 2015-06-13 | cif/ Adding structures of 7220762 via cif-deposit CGI script. |
7220762.cif |
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Users of the data should acknowledge the original authors of the
structural data.