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Information card for entry 1554542
Preview
Coordinates | 1554542.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2S1Se |
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Chemical name | 2S1Se |
Formula | C42 H54 O6 S2 Se |
Calculated formula | C42 H54 O6 S2.0001 Se0.9999 |
Title of publication | Trichalcogenasumanenes containing various chalcogen atoms: synthesis, structure, properties, and chemical reactivity |
Authors of publication | Wang, Shitao; Shang, Jihai; Yan, Chaoxian; Wang, Wenbo; Yuan, Chengshan; Zhang, Hao-Li; Shao, Xiangfeng |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 2 |
Pages of publication | 263 |
a | 14.2625 ± 0.0006 Å |
b | 18.0213 ± 0.0012 Å |
c | 31.3062 ± 0.0019 Å |
α | 86.466 ± 0.005° |
β | 83.674 ± 0.005° |
γ | 83.298 ± 0.005° |
Cell volume | 7933.2 ± 0.8 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 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 | 0.3577 |
Residual factor for significantly intense reflections | 0.1279 |
Weighted residual factors for significantly intense reflections | 0.2179 |
Weighted residual factors for all reflections included in the refinement | 0.3316 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
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/1554542.html
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