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Information card for entry 1568129
Preview
| Coordinates | 1568129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H44 N2 |
|---|---|
| Calculated formula | C44 H44 N2 |
| Title of publication | Angularly fused diaza-dinaphthopyrenes: regio-selective synthesis, crystal structures and isomer-dependent mechanochromic fluorescent properties. |
| Authors of publication | Kou, Yan; Li, Guangwu; Han, Yi; Li, Mengwei; Wang, Tingting; Qu, Zhiyu; Chen, Yulan |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 3 |
| Pages of publication | 668 - 674 |
| a | 7.4324 ± 0.0005 Å |
| b | 14.6018 ± 0.0014 Å |
| c | 16.6369 ± 0.0014 Å |
| α | 109.684 ± 0.008° |
| β | 98.078 ± 0.007° |
| γ | 93.683 ± 0.007° |
| Cell volume | 1671.1 ± 0.3 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1649 |
| Residual factor for significantly intense reflections | 0.0887 |
| Weighted residual factors for significantly intense reflections | 0.2223 |
| Weighted residual factors for all reflections included in the refinement | 0.2772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| 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 |
|---|---|---|---|
| 281400 (current) | 2023-03-04 | cif/ Updating files of 1568129, 1568130 Original log message: Adding full bibliography for 1568129--1568130.cif. |
1568129.cif |
| 279917 | 2022-12-16 | cif/ Adding structures of 1568129, 1568130 via cif-deposit CGI script. |
1568129.cif |
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Users of the data should acknowledge the original authors of the
structural data.