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Information card for entry 7151274
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Coordinates | 7151274.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H32 F12 N4 O3 |
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Calculated formula | C29 H32 F12 N4 O3 |
Title of publication | Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones. |
Authors of publication | Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2006 |
Journal volume | 4 |
Journal issue | 23 |
Pages of publication | 4319 - 4330 |
a | 10.0545 ± 0.0008 Å |
b | 15.0943 ± 0.0013 Å |
c | 21.3967 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3247.3 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1547 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.0907 |
Weighted residual factors for all reflections included in the refinement | 0.1156 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.879 |
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/7151274.html
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Users of the data should acknowledge the original authors of the
structural data.