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Information card for entry 1567733
Preview
Coordinates | 1567733.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H30 N2 O4 S3 |
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Calculated formula | C31 H30 N2 O4 S3 |
Title of publication | Formal nucleophilic pyrrolylmethylation via palladium-based auto-tandem catalysis: switchable regiodivergent synthesis and remote chirality transfer |
Authors of publication | Chen, Zhi; Li, Yu-Fan; Tan, Shun-Zhong; Ouyang, Qin; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 42 |
Pages of publication | 12433 - 12439 |
a | 29.5374 ± 0.0019 Å |
b | 9.77 ± 0.0005 Å |
c | 24.882 ± 0.003 Å |
α | 90° |
β | 122.932 ± 0.002° |
γ | 90° |
Cell volume | 6026.7 ± 0.9 Å3 |
Cell temperature | 302 K |
Ambient diffraction temperature | 302 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.092 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1164 |
Weighted residual factors for all reflections included in the refinement | 0.1404 |
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 | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1567733.html
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