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Information card for entry 4125736
Preview
| Coordinates | 4125736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C138 H108 N6 O18 |
|---|---|
| Calculated formula | C120 H96 N6 O18 |
| Title of publication | Snapshotting the Excited-State Planarization of Chemically Locked N,N'-Disubstituted Dihydrodibenzo[a,c]phenazines. |
| Authors of publication | Chen, Wei; Chen, Chi-Lin; Zhang, Zhiyun; Chen, Yi-An; Chao, Wei-Chih; Su, Jianhua; Tian, He; Chou, Pi-Tai |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 4 |
| Pages of publication | 1636 - 1644 |
| a | 34.402 ± 0.008 Å |
| b | 34.402 ± 0.008 Å |
| c | 18.748 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 19216 ± 8 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.148 |
| Residual factor for significantly intense reflections | 0.0713 |
| Weighted residual factors for significantly intense reflections | 0.1893 |
| Weighted residual factors for all reflections included in the refinement | 0.2245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193115 (current) | 2017-03-04 | cif/ Adding structures of 4125736 via cif-deposit CGI script. |
4125736.cif |
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Users of the data should acknowledge the original authors of the
structural data.