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Information card for entry 4105038
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Coordinates | 4105038.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H19 Br N2 O3 |
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Calculated formula | C21 H19 Br N2 O3 |
SMILES | Brc1ccc2N3[C@H]([C@@H](Cc2c1)C(=O)N1C(=O)OCC1)c1ccccc1CC3 |
Title of publication | Catalytic Enantioselective Intramolecular Redox Reactions: Ring-Fused Tetrahydroquinolines |
Authors of publication | Sandip Murarka; Indubhusan Deb; Chen Zhang; Daniel Seidel |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 13226 - 13227 |
a | 5.5391 ± 0.0008 Å |
b | 10.8776 ± 0.0015 Å |
c | 29.488 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1776.7 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0436 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.08 |
Weighted residual factors for all reflections included in the refinement | 0.0825 |
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 |
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The link is: https://www.crystallography.net/4105038.html
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