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Information card for entry 4032470
Preview
Coordinates | 4032470.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H29 Cl N2 O5 |
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Calculated formula | C32 H29 Cl N2 O5 |
SMILES | Clc1ccc(N2[C@]3(O[C@H](N(CC(=O)O)[C@H]3C3=C2CC(CC3=O)(C)C)C(=O)c2ccccc2)c2ccccc2)cc1.Clc1ccc(N2[C@@]3(O[C@@H](N(CC(=O)O)[C@@H]3C3=C2CC(CC3=O)(C)C)C(=O)c2ccccc2)c2ccccc2)cc1 |
Title of publication | Synthesis of Diastereoenriched Oxazolo[5,4-b]indoles via Catalyst-Free Multicomponent Bicyclizations. |
Authors of publication | Wang, Lu; Shi, Li-Xia; Liu, Lu; Li, Zhuo-Xuan; Xu, Ting; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 7 |
Pages of publication | 3605 - 3611 |
a | 10.454 ± 0.001 Å |
b | 11.4769 ± 0.0012 Å |
c | 12.4781 ± 0.0015 Å |
α | 95.655 ± 0.001° |
β | 109.758 ± 0.002° |
γ | 94.323 ± 0.001° |
Cell volume | 1392.6 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1464 |
Residual factor for significantly intense reflections | 0.069 |
Weighted residual factors for significantly intense reflections | 0.1303 |
Weighted residual factors for all reflections included in the refinement | 0.1515 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/4032470.html
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Users of the data should acknowledge the original authors of the
structural data.