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Information card for entry 1515657
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1515657.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H20 B F10 N |
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Calculated formula | C25 H20 B F10 N |
SMILES | [BH](CC([NH+]1CCCCC1)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Intramolecular frustrated N/B lewis pairs by enamine hydroboration |
Authors of publication | Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard |
Journal of publication | Chemical Science |
Year of publication | 2011 |
Journal volume | 2 |
Journal issue | 9 |
Pages of publication | 1842 |
a | 17.8309 ± 0.0007 Å |
b | 21.5961 ± 0.001 Å |
c | 12.2832 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4730 ± 0.3 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A b a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.0413 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0984 |
Weighted residual factors for all reflections included in the refinement | 0.1023 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1515657.html
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Users of the data should acknowledge the original authors of the
structural data.