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Information card for entry 7205428
Preview
Coordinates | 7205428.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | But-2-yne-1,4-diyl bis(2,3,4,5,6-pentafluorophenylcarbonate) |
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Formula | C18 H4 F10 O6 |
Calculated formula | C18 H4 F10 O6 |
SMILES | c1(c(c(c(c(c1OC(=O)OCC#CCOC(=O)Oc1c(c(c(c(c1F)F)F)F)F)F)F)F)F)F |
Title of publication | Crystal structures of fluorinated aryl biscarbonates and a biscarbamate: a counterpoise between weak intermolecular interactions and molecular symmetry |
Authors of publication | Dikundwar, Amol G.; Venkateswarlu, Ch.; Piltz, Ross O.; Chandrasekaran, Srinivasan; Guru Row, Tayur N. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 5 |
Pages of publication | 1531 |
a | 16.3233 ± 0.0005 Å |
b | 9.9385 ± 0.0004 Å |
c | 10.9883 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1782.62 ± 0.11 Å3 |
Cell temperature | 90 ± 1 K |
Ambient diffraction temperature | 90 ± 1 K |
Number of distinct elements | 4 |
Space group number | 41 |
Hermann-Mauguin space group symbol | A b a 2 |
Hall space group symbol | A 2 -2ab |
Residual factor for all reflections | 0.0508 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.105 |
Weighted residual factors for all reflections included in the refinement | 0.1128 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7205428.html
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