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Information card for entry 4110022
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Coordinates | 4110022.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 07153a |
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Formula | C18 H17 Cl N2 O3 |
Calculated formula | C18 H17 Cl N2 O3 |
SMILES | Clc1ccc2[C@]3(C([C@@H](C(=C)C3)C#N)(C)C)C(=O)N(c2c1)C(=O)OC |
Title of publication | Enantioselective Construction of Spirocyclic Oxindolic Cyclopentanes by Palladium-Catalyzed Trimethylenemethane-[3+2]-Cycloaddition |
Authors of publication | Barry M. Trost; Nicolai Cramer; Steven M. Silverman |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 12396 - 12397 |
a | 6.791 ± 0.0007 Å |
b | 13.8156 ± 0.0013 Å |
c | 8.818 ± 0.0009 Å |
α | 90° |
β | 95.531 ± 0.002° |
γ | 90° |
Cell volume | 823.47 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0301 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0717 |
Weighted residual factors for all reflections included in the refinement | 0.0731 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/4110022.html
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