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Information card for entry 1503734
Preview
Coordinates | 1503734.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H24 Br O6 |
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Calculated formula | C22 H24 Br O6 |
SMILES | Brc1ccc(C(=O)O[C@@H]2O[C@H]3[C@@H]4CC(C[C@@H]4[C@@]2([C@@H]2[C@@]3(O)COC2=O)C)(C)C)cc1 |
Title of publication | Clavicorolides A and B, sesquiterpenoids from the fermentation products of edible fungus Clavicorona pyxidata. |
Authors of publication | Zheng, Yongbiao; Shen, Yuemao |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 1 |
Pages of publication | 109 - 112 |
a | 7.6492 ± 0.0018 Å |
b | 11.685 ± 0.003 Å |
c | 23.902 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2136.4 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0821 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.0863 |
Weighted residual factors for all reflections included in the refinement | 0.0929 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1503734.html
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