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Information card for entry 4326604
Preview
Coordinates | 4326604.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H21 F15 N4 |
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Calculated formula | C27 H21 F15 N4 |
SMILES | C(CNCc1c(c(c(c(c1F)F)F)F)F)N(CCNCc1c(c(c(c(c1F)F)F)F)F)CCNCc1c(c(c(c(c1F)F)F)F)F |
Title of publication | Anion Binding in the C3v-Symmetric Cavity of a Protonated Tripodal Amine Receptor: Potentiometric and Single Crystal X-ray Studies |
Authors of publication | Purnandhu Bose; I. Ravikumar; Pradyut Ghosh |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 10693 - 10702 |
a | 14.4998 ± 0.0012 Å |
b | 14.4998 ± 0.0012 Å |
c | 7.6888 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1400 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 147 |
Hermann-Mauguin space group symbol | P -3 |
Hall space group symbol | -P 3 |
Residual factor for all reflections | 0.0781 |
Residual factor for significantly intense reflections | 0.06 |
Weighted residual factors for significantly intense reflections | 0.1628 |
Weighted residual factors for all reflections included in the refinement | 0.1766 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
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/4326604.html
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