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Information card for entry 4035228
Preview
Coordinates | 4035228.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H30 O6 |
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Calculated formula | C25 H30 O6 |
SMILES | O1c2c(cc(cc2OC[C@H]1C(O)(C)C)C)[C@H]1c2c(ccc(O)c2C=O)C[C@@H]1C(O)(C)C |
Title of publication | Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3. |
Authors of publication | Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 19 |
Pages of publication | 11804 - 11813 |
a | 22.3394 ± 0.0005 Å |
b | 8.2464 ± 0.0002 Å |
c | 13.8104 ± 0.0003 Å |
α | 90° |
β | 98.821 ± 0.002° |
γ | 90° |
Cell volume | 2514.06 ± 0.1 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 3 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0336 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0925 |
Weighted residual factors for all reflections included in the refinement | 0.0933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0499 |
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/4035228.html
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