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Information card for entry 7158450
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Coordinates | 7158450.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H12 N4 O2 |
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Calculated formula | C16 H12 N4 O2 |
Title of publication | COS-triggered oxygen/sulfur exchange of isatins: chemoselective synthesis of functionalized isoindigos and spirothiopyrans <i>via</i> self-condensation and the thio-Diels-Alder reaction. |
Authors of publication | Chen, Wei; Zhou, Hui; Ren, Bai-Hao; Ren, Wei-Min; Lu, Xiao-Bing |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
Journal volume | 20 |
Journal issue | 3 |
Pages of publication | 678 - 685 |
a | 22.659 ± 0.003 Å |
b | 8.6862 ± 0.0014 Å |
c | 15.721 ± 0.003 Å |
α | 90° |
β | 121.417 ± 0.009° |
γ | 90° |
Cell volume | 2640.6 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 4 |
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 | 0.1352 |
Residual factor for significantly intense reflections | 0.0945 |
Weighted residual factors for significantly intense reflections | 0.2506 |
Weighted residual factors for all reflections included in the refinement | 0.2786 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/7158450.html
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Users of the data should acknowledge the original authors of the
structural data.