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Information card for entry 7125202
Preview
| Coordinates | 7125202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (E)-4-((4-aminophenyl)diazenyl)benzenesulfonic acid |
|---|---|
| Formula | C12 H11 N3 O3 S |
| Calculated formula | C12 H11 N3 O3 S |
| Title of publication | Hierarchical construction of SHG-active polar crystals by using multi-component crystals. |
| Authors of publication | Miyano, Tetsuya; Sakai, Tatsuya; Hisaki, Ichiro; Ichida, Hideki; Kanematsu, Yasuo; Tohnai, Norimitsu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 94 |
| Pages of publication | 13710 - 13713 |
| a | 5.8245 ± 0.0003 Å |
| b | 7.5038 ± 0.0004 Å |
| c | 13.8162 ± 0.0004 Å |
| α | 94.785 ± 0.003° |
| β | 94.97 ± 0.003° |
| γ | 95.755 ± 0.004° |
| Cell volume | 595.96 ± 0.05 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 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 | 0.0615 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.1549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7125202.cif |
| 234599 | 2019-11-23 | cif/ Adding structures of 7125201, 7125202, 7125203, 7125204, 7125205, 7125206, 7125207, 7125208, 7125209, 7125210 via cif-deposit CGI script. |
7125202.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.