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Information card for entry 7052784
Preview
| Coordinates | 7052784.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H26 Cl2 N2 S |
|---|---|
| Calculated formula | C42 H26 Cl2 N2 S |
| SMILES | Clc1ccc(c2nc3c(c(c4ccccc4)c2Sc2c(c4ccccc4)c4c(nc2c2ccc(Cl)cc2)cccc4)cccc3)cc1 |
| Title of publication | A green protocol for the synthesis of conformationally rigid sulfur linked bisquinolines by double Friedlander reaction in water |
| Authors of publication | Paul, Nidhin; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 2607 |
| a | 11.115 ± 0.005 Å |
| b | 12.085 ± 0.005 Å |
| c | 13.476 ± 0.005 Å |
| α | 67.905 ± 0.005° |
| β | 86.187 ± 0.005° |
| γ | 73.358 ± 0.005° |
| Cell volume | 1605.2 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0913 |
| Residual factor for significantly intense reflections | 0.0657 |
| Weighted residual factors for significantly intense reflections | 0.1754 |
| Weighted residual factors for all reflections included in the refinement | 0.2521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052784.cif |
| 180081 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27. |
7052784.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052784.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052784.cif |
| 30109 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7052784, 7052785, 7052786 via cif-deposit CGI script. |
7052784.cif |
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Users of the data should acknowledge the original authors of the
structural data.