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Information card for entry 4515644
Preview
Coordinates | 4515644.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H27 N O5 |
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Calculated formula | C21 H27 N O5 |
SMILES | N1(c2ccccc2[C@]2([C@@H]1C(C[C@@H]1[C@@H]2OCCC1)(C(=O)OC)C(=O)OC)C)C.N1(c2ccccc2[C@@]2([C@H]1C(C[C@H]1[C@H]2OCCC1)(C(=O)OC)C(=O)OC)C)C |
Title of publication | Synergetic Tandem Enantiomeric Enrichment in Catalytic Asymmetric Multi-Component Reactions (AMCRs): Highly Enantioselective Construction of Tetracyclic Indolines with Four Continuous Stereocenters |
Authors of publication | Kuang, Xiao-Kang; Zhu, Jun; Zhou, Li; Wang, Lijia; Wang, Sunewang R.; Tang, Yong |
Journal of publication | ACS Catalysis |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 6 |
Pages of publication | 4991 |
a | 12.432 ± 0.0014 Å |
b | 11.174 ± 0.0013 Å |
c | 14.1728 ± 0.0016 Å |
α | 90° |
β | 96.117 ± 0.002° |
γ | 90° |
Cell volume | 1957.6 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0702 |
Residual factor for significantly intense reflections | 0.0594 |
Weighted residual factors for significantly intense reflections | 0.1471 |
Weighted residual factors for all reflections included in the refinement | 0.1576 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/4515644.html
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Users of the data should acknowledge the original authors of the
structural data.