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Information card for entry 2101299
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2101299.cif |
---|---|
Original IUCr paper | HTML |
Common name | Bis(pentafluorophenyl)methanol |
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Chemical name | Bis(pentafluorophenyl)methanol |
Formula | C13 H2 F10 O |
Calculated formula | C13 H2 F10 O |
SMILES | OC(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F |
Title of publication | Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol |
Authors of publication | Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J. |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 3 |
Pages of publication | 367 - 377 |
a | 26.006 ± 0.004 Å |
b | 26.006 ± 0.004 Å |
c | 9.5941 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5619.3 ± 1.4 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.1431 |
Residual factor for significantly intense reflections | 0.0724 |
Weighted residual factors for all reflections | 0.2084 |
Weighted residual factors for significantly intense reflections | 0.1617 |
Goodness-of-fit parameter for all reflections | 1.027 |
Goodness-of-fit parameter for significantly intense reflections | 1.137 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MolybdenumKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2101299.html
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