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Information card for entry 4034797
Preview
| Coordinates | 4034797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H80.99 B2 N6 O4 S2 |
|---|---|
| Calculated formula | C96 H80.988 B2 N6 O4 S2 |
| Title of publication | Charge Transfer Switching in Donor-Acceptor Systems Based on BN-Fused Naphthalimides. |
| Authors of publication | Li, Guangfeng; Chen, Yijing; Qiao, Yanjun; Lu, Yifan; Zhou, Gang |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 10 |
| Pages of publication | 5577 - 5587 |
| a | 4.8209 ± 0.0002 Å |
| b | 19.1877 ± 0.0007 Å |
| c | 23.923 ± 0.0008 Å |
| α | 109.218 ± 0.002° |
| β | 95.529 ± 0.002° |
| γ | 96.646 ± 0.002° |
| Cell volume | 2054.13 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1578 |
| Weighted residual factors for all reflections included in the refinement | 0.1711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.194 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 226316 (current) | 2019-11-11 | cif/ Adding structures of 4034797 via cif-deposit CGI script. |
4034797.cif |
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