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Information card for entry 4034257
Preview
Coordinates | 4034257.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H18 |
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Calculated formula | C21 H18 |
SMILES | c12c(c3c(c4c1cc(cc4)C)ccc(c3)C)ccc(c2)C |
Title of publication | Aerobic and Ligand-Free Manganese-Catalyzed Homocoupling of Arenes or Aryl Halides via in Situ Formation of Aryllithiums. |
Authors of publication | Liu, Yujia; Bergès, Julien; Zaid, Yassir; Chahdi, Fouad Ouazzani; Van Der Lee, Arie; Harakat, Dominique; Clot, Eric; Jaroschik, Florian; Taillefer, Marc |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 7 |
Pages of publication | 4413 - 4420 |
a | 7.7369 ± 0.0007 Å |
b | 18.281 ± 0.002 Å |
c | 10.785 ± 0.0011 Å |
α | 90° |
β | 106.322 ± 0.011° |
γ | 90° |
Cell volume | 1463.9 ± 0.3 Å3 |
Cell temperature | 175 K |
Ambient diffraction temperature | 175 K |
Number of distinct elements | 2 |
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 | 0.1969 |
Residual factor for significantly intense reflections | 0.1258 |
Weighted residual factors for all reflections | 0.1285 |
Weighted residual factors for significantly intense reflections | 0.1028 |
Weighted residual factors for all reflections included in the refinement | 0.1028 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4034257.html
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