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Information card for entry 1569295
Preview
| Coordinates | 1569295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H84 F11 N6 O3 Sb |
|---|---|
| Calculated formula | C82 H84 F11 N6 O3 Sb |
| Title of publication | Substituent effects on paratropicity and diatropicity in π-extended hexapyrrolohexaazacoronene |
| Authors of publication | Takase, Masayoshi; Takata, Toranosuke; Oki, Kosuke; Mori, Shigeki; Uno, Hidemitsu |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 25 |
| Pages of publication | 7036 - 7043 |
| a | 19.1475 ± 0.0005 Å |
| b | 13.0806 ± 0.0003 Å |
| c | 28.6942 ± 0.0007 Å |
| α | 90° |
| β | 101.915 ± 0.002° |
| γ | 90° |
| Cell volume | 7031.9 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| 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 | 0.1378 |
| Residual factor for significantly intense reflections | 0.084 |
| Weighted residual factors for significantly intense reflections | 0.1938 |
| Weighted residual factors for all reflections included in the refinement | 0.2173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284562 (current) | 2023-06-29 | cif/ Adding structures of 1569294, 1569295, 1569296, 1569297 via cif-deposit CGI script. |
1569295.cif |
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Users of the data should acknowledge the original authors of the
structural data.