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Information card for entry 7155271
Preview
| Coordinates | 7155271.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (Z)-(8-methoxy-4H-benzo[g][1,2,3]triazolo[5,1-c][1,4]oxazocin-11-yl)(phenyl)methanone |
|---|---|
| Formula | C19 H15 N3 O3 |
| Calculated formula | C19 H15 N3 O3 |
| Title of publication | Synthesis, DNA binding affinity and anticancer activity of novel 4H-benzo[g][1,2,3]triazolo[5,1-c][1,4]oxazocines. |
| Authors of publication | Sastry, K. N. Visweswara; Routhu, Sunitha Rani; Datta, Soma Gupta; Nagesh, Narayana; Babu, Bathini Nagendra; Nanubolu, Jagadeesh Babu; Kumar, C. Ganesh; Maurya, Ram Awatar; Kamal, Ahmed |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 39 |
| Pages of publication | 9294 - 9305 |
| a | 6.5491 ± 0.0005 Å |
| b | 18.582 ± 0.0013 Å |
| c | 12.9625 ± 0.0009 Å |
| α | 90° |
| β | 93.361 ± 0.001° |
| γ | 90° |
| Cell volume | 1574.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0686 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.237 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155271.cif |
| 188277 | 2016-11-08 | cif/ Updating files of 7155271 Original log message: Adding full bibliography for 7155271.cif. |
7155271.cif |
| 187180 | 2016-10-08 | cif/ Updating files of 7155271 Original log message: Adding full bibliography for 7155271.cif. |
7155271.cif |
| 186212 | 2016-09-06 | cif/ Adding structures of 7155271 via cif-deposit CGI script. |
7155271.cif |
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Users of the data should acknowledge the original authors of the
structural data.