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Information card for entry 7061633
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Coordinates | 7061633.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H26 O5 S |
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Calculated formula | C28 H26 O5 S |
Title of publication | Transition-metal-free insertion of alkynes into the C–C σ-bond of cyclic β-keto sulfones: an atom-economical way to medium-size-ring sulfonyl derivatives |
Authors of publication | Gu, Yingge; Yang, Yajie; Wang, Ye; Wang, Zongkang; Zhu, Yilin; Li, Yanzhong |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 30 |
Pages of publication | 14309 - 14313 |
a | 17.5906 ± 0.0008 Å |
b | 12.7342 ± 0.0007 Å |
c | 21.5096 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4818.2 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0899 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for significantly intense reflections | 0.1153 |
Weighted residual factors for all reflections included in the refinement | 0.1301 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/7061633.html
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structural data.