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Information card for entry 7103103
Preview
Coordinates | 7103103.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C188 H208 F16 I8 N8 O11 |
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Calculated formula | C188 H208 F16 I8 N8 O11 |
Title of publication | Spontaneous symmetry-breaking in halogen-bonded, bent-core liquid crystals: observation of a chemically driven Iso-N-N* phase sequence. |
Authors of publication | Präsang, Carsten; Whitwood, Adrian C; Bruce, Duncan W |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 18 |
Pages of publication | 2137 - 2139 |
a | 9.217 ± 0.005 Å |
b | 14.835 ± 0.009 Å |
c | 32.431 ± 0.019 Å |
α | 89.206 ± 0.012° |
β | 82.332 ± 0.012° |
γ | 89.607 ± 0.012° |
Cell volume | 4394 ± 5 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1245 |
Residual factor for significantly intense reflections | 0.1001 |
Weighted residual factors for significantly intense reflections | 0.2702 |
Weighted residual factors for all reflections included in the refinement | 0.2854 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7103103.html
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Users of the data should acknowledge the original authors of the
structural data.