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Information card for entry 1550735
Preview
| Coordinates | 1550735.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H66 F24 N8 P4 S2 |
|---|---|
| Calculated formula | C90 H66 F24 N8 P4 S2 |
| Title of publication | Choosing Sides: Unusual Ultrafast Charge Transfer Pathways in an Asymmetric Electron-Accepting Cyclophane that Binds an Electron Donor |
| Authors of publication | Zhou, Jiawang; Wu, Yilei; Roy, Indranil; Samanta, Avik; Stoddart, J. Fraser; Young, Ryan Michael; Wasielewski, Michael R. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.448 ± 0.002 Å |
| b | 10.636 ± 0.002 Å |
| c | 19.123 ± 0.004 Å |
| α | 101.538 ± 0.01° |
| β | 95.067 ± 0.011° |
| γ | 104.449 ± 0.01° |
| Cell volume | 1994.7 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0961 |
| Residual factor for significantly intense reflections | 0.076 |
| Weighted residual factors for significantly intense reflections | 0.1824 |
| Weighted residual factors for all reflections included in the refinement | 0.1943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214074 (current) | 2019-03-12 | cif/ Adding structures of 1550735, 1550736 via cif-deposit CGI script. |
1550735.cif |
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