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Information card for entry 1519212
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Coordinates | 1519212.cif |
---|
Formula | C19 H18 F6 O4 |
---|---|
Calculated formula | C19 H18 F6 O4 |
SMILES | FC(F)(F)C1=C2[C@@H](OCC2)[C@]2([C@@](O1)(O)C(F)(F)F)CCO[C@H]2Cc1ccccc1.FC(F)(F)C1=C2[C@H](OCC2)[C@@]2([C@](O1)(O)C(F)(F)F)CCO[C@@H]2Cc1ccccc1 |
Title of publication | 2-Benzyl-4',6'-bis(trifluoromethyl)-6'-hydroxy-2',3',7',7a'-tetrahydro-6'H- spiro-(furan-3,7'-(furo(3,2-c)pyran)) |
Authors of publication | Metwally, R. N.; Salem, E. E. -D. M.; El-Sagheer, A. H.; Mellor, J. M.; Coles, Simon J. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 1999 |
Pages of publication | 77 |
a | 21.241 ± 0.004 Å |
b | 16.179 ± 0.003 Å |
c | 10.732 ± 0.002 Å |
α | 90° |
β | 92.64 ± 0.03° |
γ | 90° |
Cell volume | 3684.2 ± 1.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.122 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.1236 |
Weighted residual factors for all reflections included in the refinement | 0.1579 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.86 |
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/1519212.html
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