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Information card for entry 7206803
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Coordinates | 7206803.cif |
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Original paper (by DOI) | HTML |
Common name | 2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, |
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Chemical name | 2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, |
Formula | C25 H26 N2 O6 |
Calculated formula | C25 H26 N2 O6 |
Title of publication | Inclusion of a chiral guest in a centrosymmetric organic host lattice |
Authors of publication | Bhattacharya, Suman; Saha, Binoy K. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 23 |
Pages of publication | 6941 |
a | 11.4001 ± 0.0011 Å |
b | 17.4597 ± 0.0016 Å |
c | 11.6727 ± 0.0009 Å |
α | 90° |
β | 101.406 ± 0.009° |
γ | 90° |
Cell volume | 2277.5 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1122 |
Residual factor for significantly intense reflections | 0.0637 |
Weighted residual factors for significantly intense reflections | 0.1799 |
Weighted residual factors for all reflections included in the refinement | 0.1967 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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