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Information card for entry 4021911
Preview
Coordinates | 4021911.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H36 N2 O5 S2 |
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Calculated formula | C28 H36 N2 O5 S2 |
SMILES | n1(c2[C@H]3C[C@@H]([C@H](C(=O)N3CCc2c2ccccc12)CC)C1(SCCS1)C(=O)OCC)C(=O)OC(C)(C)C.n1(c2[C@@H]3C[C@H]([C@@H](C(=O)N3CCc2c2ccccc12)CC)C1(SCCS1)C(=O)OCC)C(=O)OC(C)(C)C |
Title of publication | General Strategy for the Syntheses of Corynanthe, Tacaman, and Oxindole Alkaloids |
Authors of publication | Alexander Deiters; Martin Pettersson; Stephen F. Martin |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 6547 - 6561 |
a | 11.0013 ± 0.0002 Å |
b | 11.1975 ± 0.0002 Å |
c | 12.6806 ± 0.0003 Å |
α | 107.147 ± 0.001° |
β | 108.1 ± 0.001° |
γ | 98.967 ± 0.001° |
Cell volume | 1365.12 ± 0.05 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1019 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1121 |
Weighted residual factors for all reflections included in the refinement | 0.1322 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/4021911.html
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Users of the data should acknowledge the original authors of the
structural data.