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Information card for entry 4033022
Preview
Coordinates | 4033022.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H27 N O4 |
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Calculated formula | C24 H27 N O4 |
SMILES | O=C1N[C@H](C(=O)C\1=C(\O)[C@H]1[C@H]2[C@@H](CC(=CC2)C)C=C[C@H]1C)Cc1ccc(O)cc1.O=C1N[C@@H](C(=O)C\1=C(\O)[C@@H]1[C@@H]2[C@H](CC(=CC2)C)C=C[C@@H]1C)Cc1ccc(O)cc1 |
Title of publication | Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog). |
Authors of publication | Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 21 |
Pages of publication | 11474 - 11486 |
a | 10.838 ± 0.0002 Å |
b | 10.16461 ± 0.00019 Å |
c | 19.4057 ± 0.0004 Å |
α | 90° |
β | 105.682 ± 0.002° |
γ | 90° |
Cell volume | 2058.23 ± 0.07 Å3 |
Cell temperature | 102.8 K |
Ambient diffraction temperature | 102.8 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0426 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1009 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 1.5418 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/4033022.html
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Users of the data should acknowledge the original authors of the
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