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Information card for entry 7205006
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Coordinates | 7205006.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. 3(N,N-dimethylformamide). 1(dimethyl sulfoxide) clathrate |
Formula | C45 H63 N3 O6 S |
Calculated formula | C45 H36 N3 O6 S |
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 | 9.0858 ± 0.0002 Å |
b | 9.0547 ± 0.0002 Å |
c | 14.7684 ± 0.0004 Å |
α | 107.144 ± 0.001° |
β | 91.527 ± 0.001° |
γ | 70.236 ± 0.002° |
Cell volume | 1089 ± 0.05 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 | 0.142 |
Residual factor for significantly intense reflections | 0.1166 |
Weighted residual factors for significantly intense reflections | 0.3845 |
Weighted residual factors for all reflections included in the refinement | 0.4104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.651 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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