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Information card for entry 7229719
Preview
| Coordinates | 7229719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H29 N3 S |
|---|---|
| Calculated formula | C37 H29 N3 S |
| SMILES | S1c2cc(N(c3ccccc3)c3ccccc3)ccc2N(c2ccc(N(c3ccccc3)c3ccccc3)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 | 21.784 ± 0.011 Å |
| b | 27.581 ± 0.014 Å |
| c | 9.343 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5614 ± 5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for all reflections included in the refinement | 0.0646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| 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. |
7229719.cif |
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Users of the data should acknowledge the original authors of the
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