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Information card for entry 1543749
Preview
Coordinates | 1543749.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H44 O3 |
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Calculated formula | C29 H44 O3 |
SMILES | O=C1C2=C(O[C@@]3([C@@H]4[C@@H](CC/C(=C/CC3)C)C(C4)(C)C)C[C@@H]2C(C)C)C(C(=O)C1(C)C)(C)C |
Title of publication | Meroterpenoids with New Skeletons from Myrtus communis and Structure Revision of Myrtucommulone K. |
Authors of publication | Liu, Chao; Ang, Song; Huang, Xiao-Jun; Tian, Hai-Yan; Deng, Yuan-Yuan; Zhang, Dong-Mei; Wang, Ying; Ye, Wen-Cai; Wang, Lei |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 16 |
Pages of publication | 4004 - 4007 |
a | 12.1091 ± 0.0005 Å |
b | 8.3218 ± 0.0004 Å |
c | 12.7681 ± 0.0006 Å |
α | 90° |
β | 93.387 ± 0.004° |
γ | 90° |
Cell volume | 1284.39 ± 0.1 Å3 |
Cell temperature | 173 ± 0.2 K |
Ambient diffraction temperature | 173 ± 0.2 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 | 0.0341 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.0922 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
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/1543749.html
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Users of the data should acknowledge the original authors of the
structural data.