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Information card for entry 2007325
Preview
| Coordinates | 2007325.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | adduct of 1,10-Phenanthroline and 1,1'-Binaphthyl-2,2'-diol |
|---|---|
| Formula | C32 H22 N2 O2 |
| Calculated formula | C32 H22 N2 O2 |
| SMILES | n1cccc2c1c1ncccc1cc2.Oc1ccc2c(c1c1c(O)ccc3c1cccc3)cccc2 |
| Title of publication | Hydrogen Bonding in the 1:1 Adduct of 1,10-Phenanthroline and 1,1'-Binaphthyl-2,2'-diol |
| Authors of publication | García-Martínez, Emilia; Vázquez-López, Ezequiel M.; Tuck, Dennis G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 840 - 842 |
| a | 10.8768 ± 0.0015 Å |
| b | 11.238 ± 0.002 Å |
| c | 11.6786 ± 0.0008 Å |
| α | 97.929 ± 0.008° |
| β | 110.895 ± 0.007° |
| γ | 109.635 ± 0.009° |
| Cell volume | 1201 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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