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Information card for entry 4037548
Preview
Coordinates | 4037548.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H30 Br N O4 S |
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Calculated formula | C27 H30 Br N O4 S |
SMILES | Brc1cc2c(n(S(=O)(=O)c3ccc(cc3)C)cc2[C@]2(O)[C@@H](O)[C@H]([C@H](C)C)CC[C@@]2(C)C=C)cc1.Brc1cc2c(n(S(=O)(=O)c3ccc(cc3)C)cc2[C@@]2(O)[C@H](O)[C@@H]([C@@H](C)C)CC[C@]2(C)C=C)cc1 |
Title of publication | Neighboring Hydroxyl Group-Assisted Allylboration and Lewis Acid-Mediated Carbonyl-Ene Reaction for Access to a Hapalindole Cyclohexane Core with Multiple Contiguous Stereogenic Centers. |
Authors of publication | Li, Lu; Yang, Zhao; Yang, Jiao; Zhang, Quanzheng; Tan, Qiuyuan; Zhang, Changhui; Zhang, Min |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 3 |
Pages of publication | 1605 - 1613 |
a | 10.7773 ± 0.0006 Å |
b | 11.0593 ± 0.0009 Å |
c | 12.3513 ± 0.0011 Å |
α | 102.885 ± 0.007° |
β | 108.768 ± 0.006° |
γ | 102.871 ± 0.006° |
Cell volume | 1287.7 ± 0.2 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0942 |
Residual factor for significantly intense reflections | 0.0573 |
Weighted residual factors for significantly intense reflections | 0.1305 |
Weighted residual factors for all reflections included in the refinement | 0.1466 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4037548.html
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Users of the data should acknowledge the original authors of the
structural data.