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Information card for entry 7160562
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Coordinates | 7160562.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H39 O3 Si |
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Calculated formula | C22 H39 O3 Si |
Title of publication | Synthesis of the Tricyclic Skeleton of Aberrarone |
Authors of publication | Sui, Guoqing; Song, Xiaoqing; Guo, Huihui; Xie, Xiaolan; Ren, Li; Zhou, Wenming; Hao, Hongdong |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2025 |
a | 8.2115 ± 0.0014 Å |
b | 8.6473 ± 0.0015 Å |
c | 18.221 ± 0.003 Å |
α | 92.225 ± 0.004° |
β | 95.522 ± 0.004° |
γ | 117.574 ± 0.004° |
Cell volume | 1136.4 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2544 |
Residual factor for significantly intense reflections | 0.0953 |
Weighted residual factors for significantly intense reflections | 0.1663 |
Weighted residual factors for all reflections included in the refinement | 0.2144 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
299778 (current) | 2025-05-22 | cif/ Adding structures of 7160561, 7160562 via cif-deposit CGI script. |
7160562.cif |
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Users of the data should acknowledge the original authors of the
structural data.