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Information card for entry 7123832
Preview
| Coordinates | 7123832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | CP6 |
|---|---|
| Chemical name | CP6 |
| Formula | C134 H124 Cl4 O12 |
| Calculated formula | C134 H124 Cl4 O12 |
| Title of publication | Torsional chirality generation based on cyclic oligomers constructed from an odd number of pyrenes |
| Authors of publication | Kurosaki, Ryo; Suzuki, Mitsuhara; Hayashi, Hironobu; FUJIKI, Michiya; Aratani, Naoki; Yamada, Hiroko |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 18.716 ± 0.004 Å |
| b | 15.758 ± 0.004 Å |
| c | 18.963 ± 0.005 Å |
| α | 90° |
| β | 111.956 ± 0.004° |
| γ | 90° |
| Cell volume | 5187 ± 2 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| 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 | 0.189 |
| Residual factor for significantly intense reflections | 0.0793 |
| Weighted residual factors for significantly intense reflections | 0.1765 |
| Weighted residual factors for all reflections included in the refinement | 0.2405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123832.cif |
| 216940 | 2019-07-11 | cif/ Adding structures of 7123831, 7123832 via cif-deposit CGI script. |
7123832.cif |
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Users of the data should acknowledge the original authors of the
structural data.