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Information card for entry 7130326
Preview
| Coordinates | 7130326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H56 F20 S4 Se4 |
|---|---|
| Calculated formula | C104 H56 F20 S4 Se4 |
| 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 | 13.49 ± 0.005 Å |
| b | 18.005 ± 0.006 Å |
| c | 19.696 ± 0.007 Å |
| α | 90.718 ± 0.008° |
| β | 109.418 ± 0.007° |
| γ | 98.519 ± 0.008° |
| Cell volume | 4452 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.118 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276697 (current) | 2022-07-07 | cif/ Adding structures of 7130325, 7130326, 7130327 via cif-deposit CGI script. |
7130326.cif |
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Users of the data should acknowledge the original authors of the
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