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Information card for entry 7241323
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Coordinates | 7241323.cif |
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Original paper (by DOI) | HTML |
Chemical name | rctt-1,2,3,4-tetrakis-(5-pyrimdyl)cyclobutane tetrachloro-1,4-diiodobenzne |
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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 |
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The link is: https://www.crystallography.net/7241323.html
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