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Information card for entry 4037467
Preview
Coordinates | 4037467.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H21 Cl2 F3 N2 O4 |
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Calculated formula | C27 H21 Cl2 F3 N2 O4 |
Title of publication | A Diastereoselective Multicomponent Reaction for Construction of Alkynylamide-Substituted α,β-Diamino Acid Derivatives To Hunt Hits. |
Authors of publication | Lei, Ruirui; Wu, Yong; Dong, Suzhen; Jia, Kaili; Liu, Shunying; Hu, Wenhao |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 6 |
Pages of publication | 2862 - 2869 |
a | 10.539 ± 0.0012 Å |
b | 19.502 ± 0.002 Å |
c | 14.1053 ± 0.0017 Å |
α | 90° |
β | 111.24 ± 0.004° |
γ | 90° |
Cell volume | 2702.2 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1039 |
Residual factor for significantly intense reflections | 0.072 |
Weighted residual factors for significantly intense reflections | 0.1991 |
Weighted residual factors for all reflections included in the refinement | 0.23 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037467.html
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structural data.