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Information card for entry 7158724
Preview
Coordinates | 7158724.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H17 Cl2 N3 O2 S2 |
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Calculated formula | C22 H17 Cl2 N3 O2 S2 |
Title of publication | Catalytic asymmetric Michael/cyclization of 3 isothiocyanato thiobutyrolactone: an approach to the construction of a library of bispiro[pyrazolone-thiobutyrolactone] skeletons |
Authors of publication | Liu, Ren-Ming; Zhang, Min; Han, Xiao-Xue; Liu, Xiong-Li; Pan, Bo-Wen; Tian, You-Ping; Peng, Li-Jun; Yuan, Weicheng |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2022 |
a | 9.0271 ± 0.0006 Å |
b | 10.9083 ± 0.0006 Å |
c | 11.1404 ± 0.0008 Å |
α | 90° |
β | 105.79 ± 0.007° |
γ | 90° |
Cell volume | 1055.6 ± 0.12 Å3 |
Cell temperature | 169.99 ± 0.1 K |
Ambient diffraction temperature | 169.99 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0416 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0685 |
Weighted residual factors for all reflections included in the refinement | 0.0709 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
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/7158724.html
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structural data.