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Information card for entry 7205007
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Coordinates | 7205007.cif |
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Original paper (by DOI) | HTML |
Common name | none |
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Chemical name | trans-9,10-dihydroxy-9,10-bis(p-tert-butylphenyl)-9,10-dihydroanthracene. 2(N,N-dimethylformamide). 2(dimethyl sulfoxide) clathrate |
Formula | C44 H62 N2 O6 S2 |
Calculated formula | C44 H54 N2 O6 S2 |
Title of publication | Inclusion compounds with mixed guests: controlled stoichiometries and kinetics of enclathration |
Authors of publication | Barbour, Leonard J.; Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R. |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2002 |
Journal issue | 12 |
Pages of publication | 1973 |
a | 9.1425 ± 0.0003 Å |
b | 9.173 ± 0.0003 Å |
c | 14.273 ± 0.001 Å |
α | 71.356 ± 0.001° |
β | 81.229 ± 0.001° |
γ | 69.938 ± 0.001° |
Cell volume | 1064.13 ± 0.09 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1179 |
Residual factor for significantly intense reflections | 0.0902 |
Weighted residual factors for significantly intense reflections | 0.2445 |
Weighted residual factors for all reflections included in the refinement | 0.2706 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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