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Information card for entry 8104866
Preview
Coordinates | 8104866.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H46.234 O3.167 |
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Calculated formula | C30 H46 O3 |
Title of publication | The crystal structure of 3-oxo-urs-12-en-28-oic acid, C30H46O3·1/6H2O |
Authors of publication | Wang, Xiao-Hui; Wang, Hui-yun; Wang, Jia-Zhen; Zhang, Mei; Chen, Xiao-Qian; Zhao, Feng-Lan; Meng, Qing-Guo |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2021 |
Journal volume | 236 |
Journal issue | 1 |
Pages of publication | 1 - 5 |
a | 29.4307 ± 0.0004 Å |
b | 15.42797 ± 0.00017 Å |
c | 18.4667 ± 0.0002 Å |
α | 90° |
β | 104.465 ± 0.0012° |
γ | 90° |
Cell volume | 8119.11 ± 0.17 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0485 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.1135 |
Weighted residual factors for all reflections included in the refinement | 0.1197 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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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