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Information card for entry 7160428
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Coordinates | 7160428.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H80 Cl4 F12 N4 O4 |
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Calculated formula | C68 H80 Cl4 F12 N4 O4 |
Title of publication | Three-Component Minisci Reaction Involving Trifluoromethyl Radical Promoted by TBHP |
Authors of publication | Zhang, Xiaole; Wang, Wengui; Wang, Shoufeng |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2025 |
a | 8.563 ± 0.002 Å |
b | 17.298 ± 0.003 Å |
c | 11.84 ± 0.002 Å |
α | 90 ± 0.03° |
β | 92.17 ± 0.03° |
γ | 90 ± 0.03° |
Cell volume | 1752.5 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.104 |
Residual factor for significantly intense reflections | 0.0614 |
Weighted residual factors for significantly intense reflections | 0.1859 |
Weighted residual factors for all reflections included in the refinement | 0.2085 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
298513 (current) | 2025-03-19 | cif/ Adding structures of 7160428 via cif-deposit CGI script. |
7160428.cif |
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Users of the data should acknowledge the original authors of the
structural data.