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Information card for entry 1545317
Preview
Coordinates | 1545317.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H38 O3 |
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Calculated formula | C25 H38 O3 |
SMILES | O1C2=C(C(=O)C(C(=O)C2(C)C)(C)C)[C@@H](C[C@]21CC[C@@]1(C[C@H]21)C(C)C)CC(C)C |
Title of publication | Isolation, Structure Elucidation, and Absolute Configuration of Syncarpic Acid-Conjugated Terpenoids from Rhodomyrtus tomentosa. |
Authors of publication | Zhang, Ya-Long; Zhou, Xu-Wei; Wu, Lin; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi |
Journal of publication | Journal of natural products |
Year of publication | 2017 |
Journal volume | 80 |
Journal issue | 4 |
Pages of publication | 989 - 998 |
a | 6.0388 ± 0.0002 Å |
b | 20.9417 ± 0.0008 Å |
c | 9.9049 ± 0.0004 Å |
α | 90° |
β | 105.867 ± 0.004° |
γ | 90° |
Cell volume | 1204.88 ± 0.08 Å3 |
Cell temperature | 290 ± 2 K |
Ambient diffraction temperature | 290 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0418 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.1049 |
Weighted residual factors for all reflections included in the refinement | 0.1095 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1545317.html
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Users of the data should acknowledge the original authors of the
structural data.