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Information card for entry 7153144
Preview
| Coordinates | 7153144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H26 Cl2 N2 O2 |
|---|---|
| Calculated formula | C27 H26 Cl2 N2 O2 |
| SMILES | N1(CCCc2ccc3CCCN(c3c12)C(=O)c1ccccc1)C(=O)c1ccccc1.C(Cl)Cl |
| Title of publication | Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols. |
| Authors of publication | Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2013 |
| Journal volume | 11 |
| Journal issue | 43 |
| Pages of publication | 7522 - 7529 |
| a | 10.8405 ± 0.0007 Å |
| b | 9.3369 ± 0.0004 Å |
| c | 23.9357 ± 0.0016 Å |
| α | 90° |
| β | 98.99 ± 0.007° |
| γ | 90° |
| Cell volume | 2392.9 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 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 | 0.0881 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.1264 |
| Weighted residual factors for all reflections included in the refinement | 0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7153144.cif |
| 180317 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/31. |
7153144.cif |
| 90702 | 2013-11-18 | cif/ Adding structures of 7153139, 7153140, 7153141, 7153142, 7153143, 7153144, 7153145, 7153146 via cif-deposit CGI script. |
7153144.cif |
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Users of the data should acknowledge the original authors of the
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