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Information card for entry 7206802
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Coordinates | 7206802.cif |
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Original paper (by DOI) | HTML |
Common name | 2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'- bipyridine, (S)2-methyl-1-butanol |
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Chemical name | 2,4,6-triethyl-1,3,5-benzenetricarboxylic acid, 4,4'-bipyridine, (S)2-methyl-1-butanol |
Formula | C60 H76 N4 O14 |
Calculated formula | C50 H51.17 N4 O12 |
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 | 8.9857 ± 0.0002 Å |
b | 9.4136 ± 0.0002 Å |
c | 17.9866 ± 0.0004 Å |
α | 83.674 ± 0.002° |
β | 76.62 ± 0.002° |
γ | 79.597 ± 0.002° |
Cell volume | 1452.09 ± 0.06 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0727 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1363 |
Weighted residual factors for all reflections included in the refinement | 0.1451 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.903 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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