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Information card for entry 1543036
Preview
Coordinates | 1543036.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H14 N O2.5 |
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Calculated formula | C10 H14 N O2.5 |
SMILES | n12c(ccc2C)C(=O)C[C@H](O)[C@H]1C.O |
Title of publication | Curindolizine, an Anti-Inflammatory Agent Assembled via Michael Addition of Pyrrole Alkaloids Inside Fungal Cells. |
Authors of publication | Han, Wen Bo; Zhang, Ai Hua; Deng, Xin Zhao; Lei, Xinxiang; Tan, Ren Xiang |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 8 |
Pages of publication | 1816 - 1819 |
a | 7.9708 ± 0.0004 Å |
b | 10.4075 ± 0.0006 Å |
c | 11.9312 ± 0.0007 Å |
α | 90° |
β | 95.083 ± 0.002° |
γ | 90° |
Cell volume | 985.87 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0348 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0842 |
Weighted residual factors for all reflections included in the refinement | 0.0847 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1543036.html
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