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Information card for entry 7151601
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Coordinates | 7151601.cif |
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Original paper (by DOI) | HTML |
Common name | 2,2'-dihydroxyl-1,1'-binaphthyl diquinoline |
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Chemical name | 2,2'-dihydroxyl-1,1'-binaphthyl diquinoline |
Formula | C38 H28 N2 O2 |
Calculated formula | C38 H28 N2 O2 |
SMILES | c1(c(ccc2ccccc12)O)c1c(ccc2ccccc12)O.c1nc2ccccc2cc1.c1ccc2ccccc2n1 |
Title of publication | Inclusion of quinolines by binaphthol: structures and selectivity. |
Authors of publication | Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2004 |
Journal volume | 2 |
Journal issue | 5 |
Pages of publication | 655 - 659 |
a | 18.1633 ± 0.0008 Å |
b | 11.0249 ± 0.0005 Å |
c | 14.0928 ± 0.0008 Å |
α | 90° |
β | 97.171 ± 0.002° |
γ | 90° |
Cell volume | 2800 ± 0.2 Å3 |
Ambient diffraction temperature | 203 ± 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 | 0.1264 |
Residual factor for significantly intense reflections | 0.0531 |
Weighted residual factors for significantly intense reflections | 0.1001 |
Weighted residual factors for all reflections included in the refinement | 0.1235 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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