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Information card for entry 7112606
Preview
Coordinates | 7112606.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C7 H15 F6 N2 O2 P |
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Calculated formula | C7 H15 F6 N2 O2 P |
SMILES | [P](F)(F)(F)(F)(F)[F-].[N+]1(CCOC(=N)C1)(C)CCO |
Title of publication | A novel example of double 6-exo-trig heterocyclization: nitrile conversion to new anticancer active (HeLa cells) primary amine ionic liquids |
Authors of publication | Denis Prodius; Hamid Saeed Shah; Jamshed Iqbal; Anastasia Macaeva; Anatoli Dimoglo; George E. Kostakis; Nicolas Zill; Fliur Macaev; Annie K. Powell |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 4888 |
a | 6.3381 ± 0.0013 Å |
b | 8.1858 ± 0.0016 Å |
c | 11.115 ± 0.002 Å |
α | 90° |
β | 100.48 ± 0.03° |
γ | 90° |
Cell volume | 567.1 ± 0.2 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0405 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.1058 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
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/7112606.html
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