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Information card for entry 7131214
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7131214.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H21 N O3 S |
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Calculated formula | C19 H21 N O3 S |
Title of publication | Visible-light induced metal-free intramolecular reductive cyclisations of ketones with alkynes and allenes. |
Authors of publication | Tang, Nana; Zachmann, Raphael J.; Xie, Hui; Zheng, Jun; Breit, Bernhard |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 15 |
Pages of publication | 2122 - 2125 |
a | 20.05 ± 0.004 Å |
b | 16.6 ± 0.003 Å |
c | 10.28 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3421.5 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0378 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.086 |
Weighted residual factors for all reflections included in the refinement | 0.0889 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/7131214.html
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