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Information card for entry 7247337
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Coordinates | 7247337.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H29 N O3 S |
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Calculated formula | C36 H29 N O3 S |
Title of publication | Green and rapid acid-catalyzed ynamide skeletal rearrangement and stereospecific functionalization with anisole derivatives |
Authors of publication | Mutra, Mohana Reddy; Chandana, T. L.; Wang, Yun-Jou; Wang, Jeh-Jeng |
Journal of publication | Green Chemistry |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 20 |
Pages of publication | 8124 - 8133 |
a | 8.791 ± 0.0004 Å |
b | 18.1795 ± 0.001 Å |
c | 17.9329 ± 0.001 Å |
α | 90° |
β | 95.505 ± 0.004° |
γ | 90° |
Cell volume | 2852.7 ± 0.3 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.122 |
Residual factor for significantly intense reflections | 0.0756 |
Weighted residual factors for significantly intense reflections | 0.1917 |
Weighted residual factors for all reflections included in the refinement | 0.2127 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/7247337.html
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Users of the data should acknowledge the original authors of the
structural data.