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Information card for entry 7249421
Preview
| Coordinates | 7249421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43.81 H42.51 N6 O2.9 |
|---|---|
| Calculated formula | C43.8 H42.5 N6 O2.9 |
| Title of publication | Examination of photoinduced radicals in two crystal forms of triphenylamine bis-urea macrocycles |
| Authors of publication | Islam, Md Faizul; Wijesekera, Gamage Isuri P.; Sindt, Ammon J.; Smith, Mark D.; Shimizu, Linda S. |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 42 |
| Pages of publication | 6025 - 6033 |
| a | 15.7922 ± 0.0012 Å |
| b | 4.7118 ± 0.0004 Å |
| c | 26.096 ± 0.002 Å |
| α | 90° |
| β | 104.8 ± 0.002° |
| γ | 90° |
| Cell volume | 1877.4 ± 0.3 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 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 | 0.1235 |
| Residual factor for significantly intense reflections | 0.0834 |
| Weighted residual factors for significantly intense reflections | 0.204 |
| Weighted residual factors for all reflections included in the refinement | 0.231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296460 (current) | 2024-12-06 | cif/ Updating files of 7249420, 7249421, 7249422 Original log message: Adding full bibliography for 7249420--7249422.cif. |
7249421.cif |
| 295025 | 2024-10-04 | cif/ Adding structures of 7249420, 7249421, 7249422 via cif-deposit CGI script. |
7249421.cif |
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Users of the data should acknowledge the original authors of the
structural data.