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Information card for entry 7224912
Preview
| Coordinates | 7224912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H21 N O2 |
|---|---|
| Calculated formula | C29 H21 N O2 |
| SMILES | Oc1c(c2ccccc2cc1)c1c(O)ccc2c1cccc2.n1cc2ccccc2cc1 |
| Title of publication | Selective removal of isoquinoline and quinoline from simulated fuel using 1,1'-binaphthyl-2,2'-diol (BINOL): Crystal structure and evaluation of the adduct electronic properties |
| Authors of publication | Ogunlaja, Adeniyi Sunday; Hosten, Eric; Betz, Richard; Tshentu, Zenixole |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.8716 ± 0.0005 Å |
| b | 10.7064 ± 0.0005 Å |
| c | 12.3284 ± 0.0006 Å |
| α | 94.98 ± 0.002° |
| β | 111.858 ± 0.002° |
| γ | 114.677 ± 0.002° |
| Cell volume | 1052.56 ± 0.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0464 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182096 (current) | 2016-04-13 | cif/ Adding structures of 7224911, 7224912 via cif-deposit CGI script. |
7224912.cif |
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Users of the data should acknowledge the original authors of the
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