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Information card for entry 1545318
Preview
Coordinates | 1545318.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H42 O3 |
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Calculated formula | C30 H42 O3 |
SMILES | O1C2=C([C@H](C[C@]31c1c(cc(cc1)C)[C@@H](CC3)C(C)C)CC(C)C)C(=O)C(C(=O)C2(C)C)(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 | 6.1236 ± 0.0001 Å |
b | 20.4801 ± 0.0002 Å |
c | 21.9533 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2753.21 ± 0.06 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0438 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.1234 |
Weighted residual factors for all reflections included in the refinement | 0.1271 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/1545318.html
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Users of the data should acknowledge the original authors of the
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