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Information card for entry 8105764
Preview
Coordinates | 8105764.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H48 N2 O3 |
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Calculated formula | C28 H48 N2 O3 |
Title of publication | Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3 |
Authors of publication | Wu, Qi-Yun; Wu, Ji-Chun; Huo, Shao-Jie; He, Xi-Chen; Du, Jiang |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2019 |
Journal volume | 234 |
Journal issue | 3 |
Pages of publication | 513 - 516 |
a | 14.805 ± 0.003 Å |
b | 10.0557 ± 0.0018 Å |
c | 18.061 ± 0.003 Å |
α | 90° |
β | 98.935 ± 0.005° |
γ | 90° |
Cell volume | 2656.2 ± 0.8 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.109 |
Residual factor for significantly intense reflections | 0.0674 |
Weighted residual factors for significantly intense reflections | 0.1663 |
Weighted residual factors for all reflections included in the refinement | 0.1955 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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