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Information card for entry 1506011
Preview
Coordinates | 1506011.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H44 B F3 N4 O S |
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Calculated formula | C32 H44 B F3 N4 O S |
SMILES | [B]1(OC(=Nc2c1cccc2)C(F)(F)F)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[N+](C)(C)=S(N(C)C)N(C)C |
Title of publication | Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride. |
Authors of publication | Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 13 |
Pages of publication | 2747 - 2749 |
a | 10.181 ± 0.004 Å |
b | 11.863 ± 0.004 Å |
c | 14.548 ± 0.005 Å |
α | 95.352 ± 0.007° |
β | 107.107 ± 0.006° |
γ | 106.137 ± 0.006° |
Cell volume | 1583.6 ± 1 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0764 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1322 |
Weighted residual factors for all reflections included in the refinement | 0.1399 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
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/1506011.html
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