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Information card for entry 1504674
Preview
Coordinates | 1504674.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H35 N3 O11 S |
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Calculated formula | C33 H35 N3 O11 S |
SMILES | S(=O)(=O)(c1ccc(cc1)C)N1C[C@H]([C@H]2[C@]3(C1)C[C@@H](C(=O)OC)N([C@@H]3c1c2cco1)C(=O)OC(C)(C)C)OC(=O)c1ccc(cc1)N(=O)=O |
Title of publication | Expedient synthesis of the tetracyclic core of ent-nakadomarin A. |
Authors of publication | Deng, Haibing; Yang, Xiaobao; Tong, Zhaolong; Li, Zhong; Zhai, Hongbin |
Journal of publication | Organic letters |
Year of publication | 2008 |
Journal volume | 10 |
Journal issue | 9 |
Pages of publication | 1791 - 1793 |
a | 7.5429 ± 0.0017 Å |
b | 12.175 ± 0.003 Å |
c | 18.83 ± 0.004 Å |
α | 90° |
β | 98.485 ± 0.003° |
γ | 90° |
Cell volume | 1710.3 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.072 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.0853 |
Weighted residual factors for all reflections included in the refinement | 0.0985 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1504674.html
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Users of the data should acknowledge the original authors of the
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