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Information card for entry 4028506
Preview
Coordinates | 4028506.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H18 N2 O2 |
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Calculated formula | C21 H18 N2 O2 |
SMILES | C1(=O)c2ccccc2n2cccc2[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 | 7.2135 ± 0.0007 Å |
b | 10.2319 ± 0.0009 Å |
c | 22.864 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1687.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0404 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0997 |
Weighted residual factors for all reflections included in the refinement | 0.1007 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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