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Information card for entry 1569294
Preview
| Coordinates | 1569294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C155 H186 F36 N14 O7 Sb6 |
|---|---|
| Calculated formula | C155 H186 F36 N14 O7 Sb6 |
| 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 | 55.539 ± 0.0014 Å |
| b | 8.6589 ± 0.0003 Å |
| c | 32.5046 ± 0.0008 Å |
| α | 90° |
| β | 90.397 ± 0.002° |
| γ | 90° |
| Cell volume | 15631.3 ± 0.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1845 |
| Residual factor for significantly intense reflections | 0.0896 |
| Weighted residual factors for significantly intense reflections | 0.195 |
| Weighted residual factors for all reflections included in the refinement | 0.2449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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. |
1569294.cif |
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Users of the data should acknowledge the original authors of the
structural data.