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Information card for entry 4037541
Preview
Coordinates | 4037541.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H57 N5 O7 |
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Calculated formula | C36 H57 N5 O7 |
SMILES | N1[C@@H](Cc2ccccc2)C(=O)O[C@@H](CC(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C1=O)C)CC(C)C)C(C)C)[C@@H](C)CCCCCC |
Title of publication | Integrating Molecular Networking and <sup>1</sup>H NMR To Target the Isolation of Chrysogeamides from a Library of Marine-Derived Penicillium Fungi. |
Authors of publication | Hou, Xue-Mei; Li, Yue-Ying; Shi, Yun-Wei; Fang, Yao-Wei; Chao, Rong; Gu, Yu-Cheng; Wang, Chang-Yun; Shao, Chang-Lun |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 3 |
Pages of publication | 1228 - 1237 |
a | 26.18193 ± 0.00018 Å |
b | 9.22358 ± 0.00007 Å |
c | 16.79917 ± 0.00011 Å |
α | 90° |
β | 107.151 ± 0.0007° |
γ | 90° |
Cell volume | 3876.44 ± 0.05 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0432 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.1483 |
Weighted residual factors for all reflections included in the refinement | 0.1518 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.748 |
Diffraction radiation wavelength | 1.54184 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/4037541.html
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Users of the data should acknowledge the original authors of the
structural data.