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Information card for entry 7203296
Preview
Coordinates | 7203296.cif |
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Original paper (by DOI) | HTML |
Common name | none |
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Chemical name | 1^4^,1^6^,5^4^,5^6^-tetrahydroxy-2,4,6,8-tetrapentyl-3^4^,3^6^,7^4^,7^6^- tetra(p-toluenesulfonyl-oxy) -1,3,5,7(1,3)-tetrabenzenacyclooctaphane.5(2-picoline) clathrate |
Formula | C106 H123 N5 O16 S4 |
Calculated formula | C106 H105 N5 O16 S4 |
Title of publication | Selective enclathration of picoline isomers by a resorcinarene host |
Authors of publication | Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R. |
Journal of publication | CrystEngComm |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 3 |
Pages of publication | 275 |
a | 13.6878 ± 0.0002 Å |
b | 16.3438 ± 0.0003 Å |
c | 22.3279 ± 0.0005 Å |
α | 77.892 ± 0.001° |
β | 86.092 ± 0.001° |
γ | 83.936 ± 0.001° |
Cell volume | 4851.11 ± 0.16 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0956 |
Residual factor for significantly intense reflections | 0.0546 |
Weighted residual factors for significantly intense reflections | 0.1303 |
Weighted residual factors for all reflections included in the refinement | 0.1515 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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