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Information card for entry 4028505
Preview
Coordinates | 4028505.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H20 N2 O2 |
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Calculated formula | C25 H20 N2 O2 |
SMILES | C1(=O)c2cc3ccccc3n2c2ccccc2[C@@]2(C)N1[C@@H](CO2)c1ccccc1 |
Title of publication | Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality |
Authors of publication | Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 8191 - 8197 |
a | 7.8773 ± 0.001 Å |
b | 14.4868 ± 0.0019 Å |
c | 8.7034 ± 0.0012 Å |
α | 90° |
β | 105.377 ± 0.002° |
γ | 90° |
Cell volume | 957.6 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0318 |
Residual factor for significantly intense reflections | 0.03 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.0791 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
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/4028505.html
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Users of the data should acknowledge the original authors of the
structural data.