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Information card for entry 4107010
Preview
Coordinates | 4107010.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H21 Br N2 O5 |
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Calculated formula | C27 H21 Br N2 O5 |
SMILES | Brc1cccc2[C@H](N(C=Cc12)C(=O)Oc1ccccc1)[C@@]1(N=C(OC1=O)c1ccc(OC)cc1)C |
Title of publication | A Dual-Catalysis Approach to the Asymmetric Steglich Rearrangement and Catalytic Enantioselective Addition of O-Acylated Azlactones to Isoquinolines |
Authors of publication | Chandra Kanta De; Nisha Mittal; Daniel Seidel |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 16802 - 16805 |
a | 10.79 ± 0.002 Å |
b | 19.669 ± 0.005 Å |
c | 12.151 ± 0.003 Å |
α | 90° |
β | 114.153 ± 0.005° |
γ | 90° |
Cell volume | 2353 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.079 |
Residual factor for significantly intense reflections | 0.0578 |
Weighted residual factors for significantly intense reflections | 0.1283 |
Weighted residual factors for all reflections included in the refinement | 0.1384 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/4107010.html
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Users of the data should acknowledge the original authors of the
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