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Information card for entry 7210354
Preview
| Coordinates | 7210354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H22 N4 O2 |
|---|---|
| Calculated formula | C24 H22 N4 O2 |
| SMILES | C(=O)(c1ccc2ccccc2n1)NCCCCNC(=O)c1ccc2ccccc2n1 |
| Title of publication | Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives |
| Authors of publication | Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 36 |
| Pages of publication | 7212 |
| a | 7.63 ± 0.0015 Å |
| b | 12.848 ± 0.003 Å |
| c | 10.165 ± 0.002 Å |
| α | 90° |
| β | 101.01 ± 0.03° |
| γ | 90° |
| Cell volume | 978.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.7385 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7210354.cif |
| 180434 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/03. |
7210354.cif |
| 87605 | 2013-08-27 | cif/ Adding structures of 7210353, 7210354, 7210355, 7210356, 7210357, 7210358 via cif-deposit CGI script. |
7210354.cif |
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Users of the data should acknowledge the original authors of the
structural data.