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Information card for entry 1543017
Preview
Coordinates | 1543017.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H7 B F15 N |
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Calculated formula | C24 H7 B F15 N |
SMILES | Fc1c(c(F)c(F)c(F)c1F)[B]([NH2]c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Synergistic Acid-Catalyzed Synthesis of N-Aryl-Substituted Azacycles from Anilines and Cyclic Ethers. |
Authors of publication | Zhang, Zhenbei; Miao, Chengxia; Xia, Chungu; Sun, Wei |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 7 |
Pages of publication | 1522 - 1525 |
a | 13.7574 ± 0.0006 Å |
b | 8.8592 ± 0.0003 Å |
c | 18.0333 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2197.89 ± 0.14 Å3 |
Cell temperature | 173 ± 0.1 K |
Ambient diffraction temperature | 173 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0539 |
Residual factor for significantly intense reflections | 0.0409 |
Weighted residual factors for significantly intense reflections | 0.0765 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1543017.html
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