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Information card for entry 7130325
Preview
| Coordinates | 7130325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H30 Cl12 F20 O4 S4 |
|---|---|
| Calculated formula | C74 H26 F20 O4 S4 |
| Title of publication | Tailoring Diradicaloid Properties of Expanded Isophlorinoids with Systematic Core-Modification |
| Authors of publication | Ambhore, Madan Digambar; SHUKLA, PRAGATI; Gonnade, Rajesh G.; Anand, Venkataramanarao Govindan |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 25.994 ± 0.003 Å |
| b | 28.344 ± 0.004 Å |
| c | 11.9777 ± 0.0015 Å |
| α | 90° |
| β | 113.851 ± 0.003° |
| γ | 90° |
| Cell volume | 8071.2 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1091 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276697 (current) | 2022-07-07 | cif/ Adding structures of 7130325, 7130326, 7130327 via cif-deposit CGI script. |
7130325.cif |
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Users of the data should acknowledge the original authors of the
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