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Information card for entry 4104770
Preview
Coordinates | 4104770.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H17 N O3 |
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Calculated formula | C17 H17 N O3 |
SMILES | c12c(cccc1cccc2)C(=O)N1C(C)(C)OC(=O)[C@@H]1C |
Title of publication | Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids |
Authors of publication | Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 10711 - 10718 |
a | 7.866 ± 0.0003 Å |
b | 6.7057 ± 0.0002 Å |
c | 14.2336 ± 0.0005 Å |
α | 90° |
β | 105.39 ± 0.001° |
γ | 90° |
Cell volume | 723.86 ± 0.04 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 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 | 0.0502 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1144 |
Weighted residual factors for all reflections included in the refinement | 0.1218 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
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/4104770.html
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