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Information card for entry 1561346
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Coordinates | 1561346.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H21 F3 N2 |
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Calculated formula | C29 H21 F3 N2 |
Title of publication | Radical-based functionalization-oriented construction: rapid assembly of azaarene-substituted highly functionalized pyrroles |
Authors of publication | Hu, Weigao; Zhan, Qiangqiang; Zhou, Hongwei; Cao, Shanshan; Jiang, Zhiyong |
Journal of publication | Chemical Science |
Year of publication | 2021 |
a | 9.4838 ± 0.0004 Å |
b | 10.8493 ± 0.0005 Å |
c | 22.4754 ± 0.001 Å |
α | 90° |
β | 94.262 ± 0.004° |
γ | 90° |
Cell volume | 2306.16 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0892 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1373 |
Weighted residual factors for all reflections included in the refinement | 0.1615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
263421 (current) | 2021-03-30 | cif/ Adding structures of 1561346 via cif-deposit CGI script. |
1561346.cif |
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Users of the data should acknowledge the original authors of the
structural data.