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Information card for entry 1534106
Preview
Coordinates | 1534106.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H11 B Cl2 F2 N2 |
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Calculated formula | C12 H11 B Cl2 F2 N2 |
SMILES | [B]1(F)(F)[n]2c(ccc2=C(c2ccc(Cl)n12)CCC)Cl |
Title of publication | Highly Regioselective α-Chlorination of the BODIPY Chromophore with Copper(II) Chloride. |
Authors of publication | Zhou, Xin; Yu, Changjiang; Feng, Zeya; Yu, Yang; Wang, Jun; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 18 |
Pages of publication | 4632 - 4635 |
a | 10.1284 ± 0.0011 Å |
b | 11.8356 ± 0.0013 Å |
c | 12.656 ± 0.0013 Å |
α | 91.216 ± 0.001° |
β | 110.273 ± 0.001° |
γ | 107.739 ± 0.001° |
Cell volume | 1341.8 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0427 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0953 |
Weighted residual factors for all reflections included in the refinement | 0.102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/1534106.html
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