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Information card for entry 4032319
Preview
Coordinates | 4032319.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H48 O4 |
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Calculated formula | C30 H48 O4 |
SMILES | O1C2=C([C@H]([C@@H]3CCC(=C)[C@@H]4[C@@H](CC[C@@]13C)C(C4)(C)C)C(C)C)C(=O)C(C(=C2C)OC)(C)C.OC |
Title of publication | Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens. |
Authors of publication | Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 3 |
Pages of publication | 1448 - 1457 |
a | 8.7897 ± 0.0001 Å |
b | 12.307 ± 0.0002 Å |
c | 26.0231 ± 0.0003 Å |
α | 90° |
β | 93.932 ± 0.001° |
γ | 90° |
Cell volume | 2808.42 ± 0.06 Å3 |
Cell temperature | 288 ± 2 K |
Ambient diffraction temperature | 288 ± 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 | 0.0432 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.1223 |
Weighted residual factors for all reflections included in the refinement | 0.1269 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4032319.html
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