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Information card for entry 7241322
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| Coordinates | 7241322.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | TPCB |
|---|---|
| Chemical name | rctt-tetrakis-(5-pyrimidyl)-cyclobutane |
| Formula | C20 H16 N8 |
| Calculated formula | C20 H16 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 | 15.666 ± 0.0016 Å |
| b | 7.1513 ± 0.0007 Å |
| c | 17.0738 ± 0.0017 Å |
| α | 90° |
| β | 111.938 ± 0.005° |
| γ | 90° |
| Cell volume | 1774.3 ± 0.3 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| 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 | 0.0677 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.14 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| 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. |
7241322.cif |
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