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Information card for entry 7158695
Preview
Coordinates | 7158695.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H68 N6 O6 S2 |
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Calculated formula | C62 H68 N6 O6 S2 |
Title of publication | Pd-Catalyzed [4 + 2] cycloaddition of methylene cyclic carbamates with dihydropyrazolone-derived alkenes: synthesis of spiropyrazolones. |
Authors of publication | Mao, Biming; Xu, Jiaqing; Shi, Wangyu; Wang, Wei; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
Journal volume | 20 |
Journal issue | 20 |
Pages of publication | 4086 - 4090 |
a | 9.868 ± 0.002 Å |
b | 11.707 ± 0.002 Å |
c | 12.318 ± 0.003 Å |
α | 80.18 ± 0.03° |
β | 82.46 ± 0.03° |
γ | 76.91 ± 0.03° |
Cell volume | 1359.4 ± 0.5 Å3 |
Cell temperature | 163 ± 2 K |
Ambient diffraction temperature | 163.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.076 |
Residual factor for significantly intense reflections | 0.0696 |
Weighted residual factors for significantly intense reflections | 0.1819 |
Weighted residual factors for all reflections included in the refinement | 0.1877 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
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/7158695.html
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Users of the data should acknowledge the original authors of the
structural data.