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Information card for entry 4104773
Preview
Coordinates | 4104773.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H23 N O3 S |
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Calculated formula | C20 H23 N O3 S |
SMILES | S(CC[C@@]1(N(C(=O)c2c3c(ccc2)cccc3)C(OC1=O)(C)C)C)C |
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 | 10.7125 ± 0.0015 Å |
b | 7.4605 ± 0.0009 Å |
c | 11.5388 ± 0.0017 Å |
α | 90° |
β | 91.512 ± 0.004° |
γ | 90° |
Cell volume | 921.9 ± 0.2 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 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 | 0.0452 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.0983 |
Weighted residual factors for all reflections included in the refinement | 0.1021 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4104773.html
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