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Information card for entry 4519174
Preview
Coordinates | 4519174.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H22 N2 O5 |
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Calculated formula | C19 H22 N2 O5 |
Title of publication | Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study |
Authors of publication | Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei |
Journal of publication | ACS Catalysis |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 22 |
Pages of publication | 13921 - 13934 |
a | 9.1689 ± 0.0008 Å |
b | 9.169 ± 0.0008 Å |
c | 11.0996 ± 0.0009 Å |
α | 88.373 ± 0.007° |
β | 77.566 ± 0.007° |
γ | 71.735 ± 0.008° |
Cell volume | 864.57 ± 0.14 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0655 |
Residual factor for significantly intense reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.1536 |
Weighted residual factors for all reflections included in the refinement | 0.1662 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4519174.html
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Users of the data should acknowledge the original authors of the
structural data.