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Information card for entry 4106734
Preview
Coordinates | 4106734.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H19 N O2 |
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Calculated formula | C20 H19 N O2 |
SMILES | C1[C@@H]2[C@H]([C@@]2(C(=N1)c1ccccc1)C(=O)OCC)c1ccccc1.C1[C@H]2[C@@H]([C@]2(C(=N1)c1ccccc1)C(=O)OCC)c1ccccc1 |
Title of publication | Copper-Mediated Aerobic Synthesis of 3-Azabicyclo[3.1.0]hex-2-enes and 4-Carbonylpyrroles from N-Allyl/Propargyl Enamine Carboxylates |
Authors of publication | Kah Kah Toh; Yi-Feng Wang; Eileen Pei Jian Ng; Shunsuke Chiba |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 13942 - 13945 |
a | 22.201 ± 0.002 Å |
b | 11.1821 ± 0.0012 Å |
c | 13.4257 ± 0.0015 Å |
α | 90° |
β | 107.456 ± 0.002° |
γ | 90° |
Cell volume | 3179.5 ± 0.6 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 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 | 0.0661 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1058 |
Weighted residual factors for all reflections included in the refinement | 0.1167 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4106734.html
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Users of the data should acknowledge the original authors of the
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