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Information card for entry 7204441
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Coordinates | 7204441.cif |
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Original paper (by DOI) | HTML |
Common name | bnp.2(26x) |
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Chemical name | 2,2'-dihydroxy-1,1'-binaphthyl bi-2,6-xylidine clathrate |
Formula | C36 H36 N2 O2 |
Calculated formula | C36 H32 N2 O2 |
SMILES | c1(c(ccc2ccccc12)O)c1c(ccc2ccccc12)O.c1(c(cccc1C)C)N.c1(c(cccc1C)C)N |
Title of publication | Inclusion compounds of binaphthol with xylidines: structures, selectivity and kinetics of desolvation |
Authors of publication | Nassimbeni, Luigi R.; Su, Hong |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2002 |
Journal issue | 7 |
Pages of publication | 1246 |
a | 26.066 ± 0.002 Å |
b | 10.068 ± 0.002 Å |
c | 11.868 ± 0.002 Å |
α | 90° |
β | 109.11 ± 0.05° |
γ | 90° |
Cell volume | 2942.9 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1006 |
Residual factor for significantly intense reflections | 0.0662 |
Weighted residual factors for significantly intense reflections | 0.196 |
Weighted residual factors for all reflections included in the refinement | 0.2198 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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