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Information card for entry 7240216
Preview
| Coordinates | 7240216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H28 N2 O2 |
|---|---|
| Calculated formula | C31 H28 N2 O2 |
| SMILES | O=C1c2c(N(c3c1cc(N1c4ccccc4Oc4c1cccc4)cc3)CCCCCC)cccc2 |
| Title of publication | Effect of the substituent position on the electrochemical, optical and structural properties of donor-acceptor type acridone derivatives. |
| Authors of publication | Kulszewicz-Bajer, Irena; Zagorska, Malgorzata; Banasiewicz, Marzena; Guńka, Piotr A; Toman, Petr; Kozankiewicz, Boleslaw; Wiosna-Salyga, Gabriela; Pron, Adam |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 16 |
| Pages of publication | 8522 - 8534 |
| a | 12.0942 ± 0.0009 Å |
| b | 14.502 ± 0.0009 Å |
| c | 28.554 ± 0.002 Å |
| α | 90° |
| β | 90.589 ± 0.007° |
| γ | 90° |
| Cell volume | 5007.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1862 |
| Residual factor for significantly intense reflections | 0.0883 |
| Weighted residual factors for significantly intense reflections | 0.2589 |
| Weighted residual factors for all reflections included in the refinement | 0.3318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240216.cif |
| 251737 | 2020-05-05 | cif/ Updating files of 7240214, 7240215, 7240216 Original log message: Adding full bibliography for 7240214--7240216.cif. |
7240216.cif |
| 249781 | 2020-03-27 | cif/ Adding structures of 7240214, 7240215, 7240216 via cif-deposit CGI script. |
7240216.cif |
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Users of the data should acknowledge the original authors of the
structural data.