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Information card for entry 4033021
Preview
Coordinates | 4033021.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H31 N O5 |
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Calculated formula | C25 H31 N O5 |
SMILES | O=C1[C@@H](NC(=O)C\1=C(O)\[C@@H]1[C@@H]2[C@H](CC(=CC2)C)C=C[C@@H]1C)Cc1ccc(O)cc1.OC.O=C1[C@H](NC(=O)C\1=C(O)\[C@H]1[C@H]2[C@@H](CC(=CC2)C)C=C[C@H]1C)Cc1ccc(O)cc1.OC |
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 | 14.3407 ± 0.0004 Å |
b | 12.2598 ± 0.0004 Å |
c | 25.881 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4550.2 ± 0.2 Å3 |
Cell temperature | 103.4 K |
Ambient diffraction temperature | 103.4 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0438 |
Residual factor for significantly intense reflections | 0.0389 |
Weighted residual factors for significantly intense reflections | 0.0957 |
Weighted residual factors for all reflections included in the refinement | 0.0995 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4033021.html
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Users of the data should acknowledge the original authors of the
structural data.