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Information card for entry 7240215
Preview
| Coordinates | 7240215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H28 N2 O2 |
|---|---|
| Calculated formula | C31 H28 N2 O2 |
| SMILES | O1c2c(N(c3c1cccc3)c1c3c(N(c4c(C3=O)cccc4)CCCCCC)ccc1)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 | 9.3283 ± 0.0007 Å |
| b | 10.2674 ± 0.0008 Å |
| c | 13.0289 ± 0.0009 Å |
| α | 79.338 ± 0.006° |
| β | 87.728 ± 0.006° |
| γ | 73.749 ± 0.007° |
| Cell volume | 1177.23 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0951 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1261 |
| Weighted residual factors for all reflections included in the refinement | 0.1545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
7240215.cif |
| 251737 | 2020-05-05 | cif/ Updating files of 7240214, 7240215, 7240216 Original log message: Adding full bibliography for 7240214--7240216.cif. |
7240215.cif |
| 249781 | 2020-03-27 | cif/ Adding structures of 7240214, 7240215, 7240216 via cif-deposit CGI script. |
7240215.cif |
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Users of the data should acknowledge the original authors of the
structural data.