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Information card for entry 8105257
Preview
Coordinates | 8105257.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H27 N3 O S2 |
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Calculated formula | C17 H27 N3 O S2 |
Title of publication | The crystal structure of a matrine derivative, 13-(methylamine-1-yl) carbodithioate matrine, C17H27N3OS2 |
Authors of publication | Hui-Qing, He; Fang-Yun, Dong; Han-Hui, Zhang; Jing-Min, Ye; Chun-Can, Tan; Xu-Hong, Jiang; Zi-Zhao, Zheng; Xiao-Jing, Lv; Xing-An, Cheng |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2020 |
Journal volume | 235 |
Journal issue | 3 |
Pages of publication | 685 - 687 |
a | 8.8052 ± 0.0001 Å |
b | 10.886 ± 0.0001 Å |
c | 18.6705 ± 0.0002 Å |
α | 90° |
β | 99.273 ± 0.001° |
γ | 90° |
Cell volume | 1766.24 ± 0.03 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0306 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for significantly intense reflections | 0.0809 |
Weighted residual factors for all reflections included in the refinement | 0.081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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