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Information card for entry 7241323
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| Coordinates | 7241323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | rctt-1,2,3,4-tetrakis-(5-pyrimdyl)cyclobutane tetrachloro-1,4-diiodobenzne |
|---|---|
| Formula | C39 H24 Cl8 I4 N8 |
| Calculated formula | C39 H24 Cl8 I4 N8 |
| Title of publication | Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder |
| Authors of publication | Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 8.9258 ± 0.0005 Å |
| b | 9.1762 ± 0.0006 Å |
| c | 14.6465 ± 0.0008 Å |
| α | 82.686 ± 0.002° |
| β | 74.068 ± 0.002° |
| γ | 72.653 ± 0.002° |
| Cell volume | 1099.72 ± 0.11 Å3 |
| Cell temperature | 102 ± 2 K |
| Ambient diffraction temperature | 102 ± 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 | 0.0283 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.048 |
| Weighted residual factors for all reflections included in the refinement | 0.0499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256842 (current) | 2020-09-30 | cif/ Adding structures of 7241322, 7241323 via cif-deposit CGI script. |
7241323.cif |
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Users of the data should acknowledge the original authors of the
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