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Information card for entry 7221821
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| Coordinates | 7221821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | TPAANPCHO |
|---|---|
| Formula | C39 H27 N O |
| Calculated formula | C38.996 H27 N O |
| Title of publication | High-contrast and reversible mechanochromic luminescence of a D-π-A compound with a twisted molecular conformation |
| Authors of publication | Wei, Jinbei; Liang, Baoyan; Cheng, Xiao; Zhang, Zuolun; Zhang, Hongyu; Wang, Yue |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 7.7432 ± 0.0015 Å |
| b | 9.579 ± 0.0019 Å |
| c | 21.157 ± 0.004 Å |
| α | 95.62 ± 0.03° |
| β | 99.49 ± 0.03° |
| γ | 108.71 ± 0.03° |
| Cell volume | 1446.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1014 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1656 |
| Weighted residual factors for all reflections included in the refinement | 0.1921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 153513 (current) | 2015-08-19 | cif/ Adding structures of 7221821 via cif-deposit CGI script. |
7221821.cif |
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