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Information card for entry 7229720
Preview
| Coordinates | 7229720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H34 Br4 Cl Ga N3 S |
|---|---|
| Calculated formula | C47 H34 Br4 Cl Ga N3 S |
| SMILES | Br[Ga](Br)(Br)[Br-].Clc1ccccc1.S1c2cc(N3c4ccccc4C=Cc4ccccc34)ccc2N(c2ccc(N3c4ccccc4C=Cc4ccccc34)cc12)C |
| Title of publication | Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines |
| Authors of publication | Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji |
| Journal of publication | RSC Advances |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 88 |
| Pages of publication | 56144 |
| a | 18.327 ± 0.01 Å |
| b | 10.704 ± 0.006 Å |
| c | 23.653 ± 0.013 Å |
| α | 90° |
| β | 92.738 ± 0.005° |
| γ | 90° |
| Cell volume | 4635 ± 4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.71 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204214 (current) | 2017-12-13 | cif/ Adding structures of 7229710, 7229711, 7229712, 7229713, 7229714, 7229715, 7229716, 7229717, 7229718, 7229719, 7229720, 7229721 via cif-deposit CGI script. |
7229720.cif |
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Users of the data should acknowledge the original authors of the
structural data.