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Information card for entry 1547221
Preview
Coordinates | 1547221.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H24 O10 |
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Calculated formula | C21 H24 O10 |
SMILES | O(c1cc(cc(OC)c1O)c1cc(C(=O)O)cc2c1c(OC)c(O)c(OC)c2)C.O.O |
Title of publication | Roseochelin B, an Algaecidal Natural Product Synthesized by the Roseobacter Phaeobacter inhibens in Response to Algal Sinapic Acid. |
Authors of publication | Wang, Rurun; Seyedsayamdost, Mohammad R. |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 19 |
Pages of publication | 5138 - 5141 |
a | 7.1541 ± 0.0004 Å |
b | 12.2169 ± 0.0007 Å |
c | 12.5923 ± 0.0007 Å |
α | 64.384 ± 0.002° |
β | 84.733 ± 0.003° |
γ | 89.351 ± 0.003° |
Cell volume | 987.72 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.043 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0974 |
Weighted residual factors for all reflections included in the refinement | 0.1104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
Diffraction radiation wavelength | 1.54178 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/1547221.html
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