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Information card for entry 4107583
Preview
Coordinates | 4107583.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H20 Br N O5 |
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Calculated formula | C20 H20 Br N O5 |
SMILES | Brc1cc2c(cc1)cc(cc2)[C@@H]1N2[C@H](CC1(C(=O)OC)C(=O)OC)CCO2 |
Title of publication | Stereodivergent Methodology for the Synthesis of Complex Pyrrolidines |
Authors of publication | Stephen K. Jackson; Avedis Karadeolian; Alex B. Driega; Michael A. Kerr |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 4196 - 4201 |
a | 11.042 ± 0.002 Å |
b | 12.246 ± 0.002 Å |
c | 13.931 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1883.8 ± 0.6 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0426 |
Residual factor for significantly intense reflections | 0.0337 |
Weighted residual factors for significantly intense reflections | 0.0739 |
Weighted residual factors for all reflections included in the refinement | 0.0784 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
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/4107583.html
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Users of the data should acknowledge the original authors of the
structural data.