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Information card for entry 7218149
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Coordinates | 7218149.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | pentafluoronaphthalene |
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Formula | C10 H3 F5 |
Calculated formula | C10 H3 F5 |
Title of publication | Highly fluorinated naphthalenes and bifurcated C‒H⋯F‒C hydrogen bonding |
Authors of publication | Loader, Jason R.; Libri, Stefano; Meijer, Anthony J. H. M.; Perutz, Robin N.; Brammer, Lee |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 41 |
Pages of publication | 9711 |
a | 8.5748 ± 0.0017 Å |
b | 3.6622 ± 0.0007 Å |
c | 12.423 ± 0.003 Å |
α | 90° |
β | 93.08 ± 0.03° |
γ | 90° |
Cell volume | 389.55 ± 0.14 Å3 |
Cell temperature | 100.15 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0967 |
Residual factor for significantly intense reflections | 0.082 |
Weighted residual factors for significantly intense reflections | 0.2151 |
Weighted residual factors for all reflections included in the refinement | 0.2234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180512 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/81. |
7218149.cif |
124694 | 2014-10-06 | cif/ Updating files of 7218148, 7218149 Original log message: Adding full bibliography for 7218148--7218149.cif. |
7218149.cif |
123959 | 2014-09-18 | cif/ Adding structures of 7218148, 7218149 via cif-deposit CGI script. |
7218149.cif |
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Users of the data should acknowledge the original authors of the
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