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Information card for entry 7248130
Preview
| Coordinates | 7248130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H22 N4 O |
|---|---|
| Calculated formula | C26 H22 N4 O |
| Title of publication | Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography |
| Authors of publication | Pawlędzio, Sylwia; Ziemniak, Marcin; Trzybiński, Damian; Arhangelskis, Mihails; Makal, Anna; Woźniak, Krzysztof |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 5340 - 5350 |
| a | 24.31 ± 0.002 Å |
| b | 24.31 ± 0.002 Å |
| c | 14.016 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8283.1 ± 1.5 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 142 |
| Hermann-Mauguin space group symbol | I 41/a c d :2 |
| Hall space group symbol | -I 4bd 2c |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289799 (current) | 2024-02-13 | cif/ Adding structures of 7248127, 7248128, 7248129, 7248130 via cif-deposit CGI script. |
7248130.cif |
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Users of the data should acknowledge the original authors of the
structural data.