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Information card for entry 7158448
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Coordinates | 7158448.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | S8 |
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Calculated formula | S8 |
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 | 10.4753 ± 0.0014 Å |
b | 12.8737 ± 0.0018 Å |
c | 24.51 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3305.3 ± 0.8 Å3 |
Cell temperature | 273.15 K |
Ambient diffraction temperature | 273.15 K |
Number of distinct elements | 1 |
Space group number | 70 |
Hermann-Mauguin space group symbol | F d d d :2 |
Hall space group symbol | -F 2uv 2vw |
Residual factor for all reflections | 0.0232 |
Residual factor for significantly intense reflections | 0.02 |
Weighted residual factors for significantly intense reflections | 0.0484 |
Weighted residual factors for all reflections included in the refinement | 0.0499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
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/7158448.html
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structural data.