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Information card for entry 1519854
Preview
| Coordinates | 1519854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | tetrabutyl-tetrahydro-tetramethylbiacridine |
|---|---|
| Formula | C46 H58 N2 |
| Calculated formula | C46 H58 N2 |
| SMILES | N12N3c4c(C(c5c3ccc(c5)C(C)(C)C)(C)C)cc(cc4c3cc(cc(C(c4c2ccc(C(C)(C)C)c4)(C)C)c13)C(C)(C)C)C(C)(C)C |
| Title of publication | Acid/base-regulated reversible electron transfer disproportionation of N–N linked bicarbazole and biacridine derivatives |
| Authors of publication | Pandit, Palash; Yamamoto, Koji; Nakamura, Toshikazu; Nishimura, Katsuyuki; Kurashige, Yuki; Yanai, Takeshi; Nakamura, Go; Masaoka, Shigeyuki; Furukawa, Ko; Yakiyama, Yumi; Kawano, Masaki; Higashibayashi, Shuhei |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | 4160 |
| a | 13.312 ± 0.003 Å |
| b | 18.813 ± 0.004 Å |
| c | 15.401 ± 0.004 Å |
| α | 90° |
| β | 97.762 ± 0.005° |
| γ | 90° |
| Cell volume | 3821.7 ± 1.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1403 |
| Residual factor for significantly intense reflections | 0.0893 |
| Weighted residual factors for significantly intense reflections | 0.2123 |
| Weighted residual factors for all reflections included in the refinement | 0.2496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1519854.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1519854.cif |
| 143350 | 2015-07-10 | cif/ Updating files of 1519852, 1519853, 1519854, 1519855 Original log message: Adding full bibliography for 1519852--1519855.cif. |
1519854.cif |
| 137177 | 2015-05-22 | cif/ Adding structures of 1519852, 1519853, 1519854, 1519855 via cif-deposit CGI script. |
1519854.cif |
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