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Information card for entry 1560815
Preview
| Coordinates | 1560815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H36 Br N O2 |
|---|---|
| Calculated formula | C33 H36 Br N O2 |
| SMILES | [Br-].Oc1ccc2ccccc2c1c1c(O)ccc2c1cccc2.[N+](CC)(CC)(CC)Cc1ccccc1 |
| Title of publication | The Crystal Structure of a Benzyltriethylammonium Bromide Complex with <i>rac</i>-1,1′-Binaphthalene-2,2′-diol: The Inclusion of an Arylammonium Salt by an Assembly of Binaphthol Groups |
| Authors of publication | MARFO-OWUSU, Emmanuel; THOMPSON, Amber L. |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2021 |
| Journal volume | 37 |
| Journal issue | 0 |
| Pages of publication | 7 - 8 |
| a | 10.8109 ± 0.0001 Å |
| b | 10.3081 ± 0.0001 Å |
| c | 25.2697 ± 0.0003 Å |
| α | 90° |
| β | 98.2242 ± 0.0003° |
| γ | 90° |
| Cell volume | 2787.09 ± 0.05 Å3 |
| Cell temperature | 0 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0326 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for all reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262731 (current) | 2021-03-05 | cif/ Adding structures of 1560815 via cif-deposit CGI script. |
1560815.cif |
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Users of the data should acknowledge the original authors of the
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