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Information card for entry 1577331
Preview
| Coordinates | 1577331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H22 |
|---|---|
| Calculated formula | C38 H22 |
| Title of publication | Linearly Acenaphthylene-Fused Pentacene Exhibiting Efficient Singlet Fission |
| Authors of publication | Arvidson, Jacob; Shaikh, Saad; Tanaka, Masahiro; Pawale, Tejal; Dawson, Andrew; Li, Xiao; Nesterov, Vladimir; Kobori, Yasuhiro; Das, Somnath; Wang, Hong |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 5.21884 ± 0.00011 Å |
| b | 8.77359 ± 0.00018 Å |
| c | 26.1039 ± 0.0005 Å |
| α | 90° |
| β | 92.0277 ± 0.0018° |
| γ | 90° |
| Cell volume | 1194.5 ± 0.04 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 2 |
| 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 | 0.048 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1147 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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 |
|---|---|---|---|
| 306165 (current) | 2026-06-02 | cif/ Adding structures of 1577331, 1577332 via cif-deposit CGI script. |
1577331.cif |
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Users of the data should acknowledge the original authors of the
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