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Information card for entry 7059118
Preview
Coordinates | 7059118.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H22 Cl N O4 |
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Calculated formula | C20 H22 Cl N O4 |
Title of publication | Improving solubility and avoiding hygroscopicity of tetrahydroberberine by forming hydrochloride salts by introducing solvents: [HTHB]Cl, [HTHB]Cl·CH3OH and [HTHB]Cl·CH3COOH |
Authors of publication | Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Liu, Lixin; Zhang, Xuesong; Zhang, Lei; Zhang, Yunjie; Chang, Liang; Fan, Qiushuang; Zhang, Yongbiao; Xi, Jiaming; Zhang, Qiang |
Journal of publication | New Journal of Chemistry |
Year of publication | 2017 |
Journal volume | 41 |
Journal issue | 22 |
Pages of publication | 13268 |
a | 7.5563 ± 0.0003 Å |
b | 9.6115 ± 0.0005 Å |
c | 23.9913 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1742.43 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0496 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.0884 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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