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Information card for entry 1515652
Preview
Coordinates | 1515652.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H22 B F10 N |
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Calculated formula | C27 H22 B F10 N |
SMILES | [N]12([B](C(C1c1ccccc1)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)CCCCC2 |
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 | 9.1677 ± 0.0001 Å |
b | 11.1135 ± 0.0002 Å |
c | 13.3821 ± 0.0002 Å |
α | 68.696 ± 0.001° |
β | 78.909 ± 0.001° |
γ | 81.699 ± 0.001° |
Cell volume | 1242.4 ± 0.03 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0466 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.1171 |
Weighted residual factors for all reflections included in the refinement | 0.1184 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1515652.html
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