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Information card for entry 7227605
Preview
| Coordinates | 7227605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H46 N2 O2 |
|---|---|
| Calculated formula | C40 H46 N2 O2 |
| Title of publication | New quinacridone derivatives with π-extended conjugation in central core |
| Authors of publication | Kurzep, Piotr; Skórka, Łukasz; Zagorska, Malgorzata; Guńka, Piotr A.; Banasiewicz, Marzena; Kozankiewicz, Bolesław; Kulszewicz-Bajer, Irena |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 14 |
| Pages of publication | 8627 |
| a | 12.6799 ± 0.0005 Å |
| b | 8.8317 ± 0.0003 Å |
| c | 15.5666 ± 0.0006 Å |
| α | 90° |
| β | 109.439 ± 0.004° |
| γ | 90° |
| Cell volume | 1643.86 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.0677 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1639 |
| Weighted residual factors for all reflections included in the refinement | 0.1781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227605.cif |
| 191167 | 2017-01-31 | cif/ Adding structures of 7227605 via cif-deposit CGI script. |
7227605.cif |
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Users of the data should acknowledge the original authors of the
structural data.