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Information card for entry 7246473
Preview
Coordinates | 7246473.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H13 I3 N2 O2 |
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Calculated formula | C12 H13 I3 N2 O2 |
Title of publication | Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives. |
Authors of publication | Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 15 |
Pages of publication | 10599 - 10603 |
a | 8.2027 ± 0.0003 Å |
b | 13.5124 ± 0.0004 Å |
c | 14.3668 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1592.39 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0709 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.05 |
Weighted residual factors for all reflections included in the refinement | 0.0557 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
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/7246473.html
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Users of the data should acknowledge the original authors of the
structural data.