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Information card for entry 7052694
Preview
Coordinates | 7052694.cif |
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Original paper (by DOI) | HTML |
Chemical name | 1,4-bis(9-hydroxyfluoren-9-yl)benzene. 4-picoline and morpholine clathrate |
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Formula | C42 H38 N2 O3 |
Calculated formula | C42 H38 N2 O3 |
SMILES | c1cccc2c1C(O)(c1ccc(C3(O)c4ccccc4c4ccccc34)cc1)c1ccccc21.C1CNCCO1.c1cc(ccn1)C |
Title of publication | Enclathration of bases by a fluorenyl host: structure, stability and selectivity |
Authors of publication | Bourne, Susan A.; Corin, Kirsten; Cruickshank, Dyanne L.; Davson, Jessica; Nassimbeni, Luigi R.; Su, Hong; Weber, Edwin |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 7 |
Pages of publication | 1556 |
a | 16.8977 ± 0.0002 Å |
b | 13.9004 ± 0.0002 Å |
c | 28.3312 ± 0.0004 Å |
α | 90° |
β | 90.103 ± 0.001° |
γ | 90° |
Cell volume | 6654.56 ± 0.16 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0803 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.1029 |
Weighted residual factors for all reflections included in the refinement | 0.1167 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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