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Information card for entry 4501449
Preview
Coordinates | 4501449.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H19 Br N4 O5 |
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Calculated formula | C20 H19 Br N4 O5 |
SMILES | Brc1cc2[C@H]([C@]([C@@H](CC(=O)OCC)Oc2cc1)(C)N(=O)=O)n1c2c(cccc2)nn1 |
Title of publication | Enantioselective Synthesis of Chromans with a Quaternary Stereogenic Centre through Catalytic Asymmetric Cascade Reactions |
Authors of publication | Hua, Qiu-Lin; Li, Chao; Wang, Xu-Fan; Lu, Liang-Qiu; Chen, Jia-Rong; Xiao, Wen-Jing |
Journal of publication | ACS Catalysis |
Year of publication | 2011 |
Journal volume | 1 |
Journal issue | 3 |
Pages of publication | 221 |
a | 7.8416 ± 0.0014 Å |
b | 13.964 ± 0.002 Å |
c | 9.5724 ± 0.0016 Å |
α | 90° |
β | 106.198 ± 0.003° |
γ | 90° |
Cell volume | 1006.6 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0406 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0769 |
Weighted residual factors for all reflections included in the refinement | 0.079 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
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/4501449.html
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