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Information card for entry 1573446
Preview
| Coordinates | 1573446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H22 N6 O2 |
|---|---|
| Calculated formula | C32 H22 N6 O2 |
| Title of publication | Shedding new light on quadrupolar 1,4-dihydropyrrolo[3,2-<i>b</i>]pyrroles: impact of electron-deficient scaffolds over emission. |
| Authors of publication | Szymański, Bartosz; Sahoo, Smruti Ranjan; Vakuliuk, Olena; Valiev, Rashid; Ramazanov, Ruslan; Łaski, Piotr; Jarzembska, Katarzyna N.; Kamiński, Radosław; Teimouri, Mohammad B.; Baryshnikov, Glib; Gryko, Daniel T. |
| Journal of publication | Chemical science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 5 |
| Pages of publication | 2170 - 2179 |
| a | 23.4345 ± 0.0004 Å |
| b | 7.9786 ± 0.0002 Å |
| c | 13.6019 ± 0.0002 Å |
| α | 90° |
| β | 105.599 ± 0.002° |
| γ | 90° |
| Cell volume | 2449.54 ± 0.09 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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 |
|---|---|---|---|
| 298109 (current) | 2025-03-04 | cif/ Updating files of 1573442, 1573443, 1573444, 1573445, 1573446, 1573447, 1573448 Original log message: Adding full bibliography for 1573442--1573448.cif. |
1573446.cif |
| 296849 | 2024-12-12 | cif/ Adding structures of 1573442, 1573443, 1573444, 1573445, 1573446, 1573447, 1573448 via cif-deposit CGI script. |
1573446.cif |
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Users of the data should acknowledge the original authors of the
structural data.