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Information card for entry 7052639
Preview
Coordinates | 7052639.cif |
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Original paper (by DOI) | HTML |
Formula | C112 H206 K4 O103 |
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Calculated formula | C112 H156 K4 O103 |
Title of publication | Inclusion of potassium 4,4′-biphenyldicarboxylate into β-cyclodextrin: the design and synthesis of an organic secondary building unit |
Authors of publication | Fernandes, José A.; Paz, Filipe A. Almeida; Braga, Susana S.; Ribeiro-Claro, Paulo J. A.; Rocha, João |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 6 |
Pages of publication | 1280 |
a | 14.9804 ± 0.0015 Å |
b | 15.6008 ± 0.0015 Å |
c | 19.252 ± 0.002 Å |
α | 84.728 ± 0.003° |
β | 75.56 ± 0.003° |
γ | 75.295 ± 0.003° |
Cell volume | 4212.5 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.2978 |
Residual factor for significantly intense reflections | 0.1384 |
Weighted residual factors for significantly intense reflections | 0.2808 |
Weighted residual factors for all reflections included in the refinement | 0.3097 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.075 |
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/7052639.html
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structural data.