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Information card for entry 8106597
Preview
Coordinates | 8106597.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H17 I N2 |
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Calculated formula | C19 H17 I N2 |
Title of publication | Crystal structure of 1,3-dimethyl-2-phenyl-1H-perimidin-3-ium iodide, C19H17IN2 |
Authors of publication | Yuan, Lin; Li, Zhong-Yan; Yuan, Xian-You; Zhang, Min; Liu, Fang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 4 |
Pages of publication | 541 - 543 |
a | 18.701 ± 0.004 Å |
b | 7.923 ± 0.0016 Å |
c | 24.069 ± 0.006 Å |
α | 90° |
β | 111.168 ± 0.002° |
γ | 90° |
Cell volume | 3325.6 ± 1.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 4 |
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 | 0.0213 |
Residual factor for significantly intense reflections | 0.0201 |
Weighted residual factors for significantly intense reflections | 0.0454 |
Weighted residual factors for all reflections included in the refinement | 0.0462 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
280604 (current) | 2023-01-25 | cif/ Adding structures of 8106597 via cif-deposit CGI script. |
8106597.cif |
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Users of the data should acknowledge the original authors of the
structural data.