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Information card for entry 7114862
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Coordinates | 7114862.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | none |
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Chemical name | trans-9,10-dihydroxy-9,10-di-p-tert-butylphenyl-9,10-dihydroanthracene. 4(N,N-Dimethylformamide) clathrate |
Formula | C46 H64 N4 O6 |
Calculated formula | C46 H64 N4 O6 |
SMILES | OC1(c2ccccc2C(c2ccccc12)(O)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C |
Title of publication | Tunable clathrates |
Authors of publication | Caira, Mino R.; Roex, Tanya le; Nassimbeni, Luigi R. |
Journal of publication | Chemical Communications |
Year of publication | 2001 |
Journal issue | 20 |
Pages of publication | 2128 |
a | 8.9414 ± 0.0003 Å |
b | 9.0806 ± 0.0004 Å |
c | 14.935 ± 0.001 Å |
α | 91.307 ± 0.002° |
β | 105.523 ± 0.002° |
γ | 110.189 ± 0.003° |
Cell volume | 1087.67 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0974 |
Residual factor for significantly intense reflections | 0.0575 |
Weighted residual factors for significantly intense reflections | 0.1652 |
Weighted residual factors for all reflections included in the refinement | 0.1964 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.238 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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