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Information card for entry 7226813
Preview
| Coordinates | 7226813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | CPAM |
|---|---|
| Formula | C15 H11 Br F N O3 |
| Calculated formula | C15 H11 Br F N O3 |
| SMILES | c1cc(c(cc1/C=C/C(=O)Nc1c(cc(cc1)F)Br)O)O |
| Title of publication | N-(2-Bromo-4-fluorophenyl)-3-(3,4-dihydroxyphenyl)-acrylamide (CPAM) a small catecholic amide as antioxidant, anti diabetic and antibacterial compound |
| Authors of publication | Misra, Kaushik; Nag, Ahindra; Sonwane, Avinash |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 6.5029 ± 0.0009 Å |
| b | 4.7911 ± 0.0007 Å |
| c | 43.18 ± 0.006 Å |
| α | 90° |
| β | 90.145 ± 0.004° |
| γ | 90° |
| Cell volume | 1345.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0824 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187387 (current) | 2016-10-18 | cif/ Adding structures of 7226813 via cif-deposit CGI script. |
7226813.cif |
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