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Information card for entry 7123544
Preview
Coordinates | 7123544.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H20 N2 O5 S |
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Calculated formula | C21 H20 N2 O5 S |
Title of publication | Facile dearomatization of nitroaromatic compounds using lithium enolates of unsaturated ketones in conjugate additions and (4+2) formal cycloadditions |
Authors of publication | Pasturaud, Karine; Rkein, Batoul; Sanselme, Morgane; Sebban, Muriel; Lakhdar, Sami; Durandetti, Muriel; LEGROS, Julien; Chataigner, Isabelle |
Journal of publication | Chemical Communications |
Year of publication | 2019 |
a | 13.6756 ± 0.0013 Å |
b | 15.9188 ± 0.0015 Å |
c | 8.9377 ± 0.0008 Å |
α | 90° |
β | 100.551 ± 0.002° |
γ | 90° |
Cell volume | 1912.8 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0362 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.1028 |
Weighted residual factors for all reflections included in the refinement | 0.1041 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
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/7123544.html
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