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Information card for entry 1557371
Preview
| Coordinates | 1557371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (R)-2-hydroxy-2?-(2-pyridylmethyloxy)-3-formyl-1,1?-binaphthalene |
|---|---|
| Formula | C27 H19 N O3 |
| Calculated formula | C27 H19 N O3 |
| SMILES | O=Cc1cc2ccccc2c(c1O)c1c2ccccc2ccc1OCc1ncccc1 |
| Title of publication | Accurate chiral pattern recognition for amines from just a single chemosensor |
| Authors of publication | Sasaki, Yui; Kojima, Soya; Hamedpour, Vahid; Kubota, Riku; Takizawa, Shin-ya; Yoshikawa, Isao; Houjou, Hirohiko; Kubo, Yuji; Minami, Tsuyoshi |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 15 |
| Pages of publication | 3790 - 3796 |
| a | 7.1378 ± 0.0002 Å |
| b | 9.8466 ± 0.0002 Å |
| c | 14.7942 ± 0.0003 Å |
| α | 88.9786 ± 0.0016° |
| β | 79.0044 ± 0.0017° |
| γ | 74.6213 ± 0.0019° |
| Cell volume | 983.56 ± 0.04 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0368 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0904 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1557371.cif |
| 257387 | 2020-10-06 | cif/ Updating files of 1557371 Original log message: Adding full bibliography for 1557371.cif. |
1557371.cif |
| 251612 | 2020-05-05 | cif/ Updating files of 1557371 Original log message: Adding full bibliography for 1557371.cif. |
1557371.cif |
| 248426 | 2020-02-25 | cif/ Adding structures of 1557371 via cif-deposit CGI script. |
1557371.cif |
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Users of the data should acknowledge the original authors of the
structural data.