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Information card for entry 4125737
Preview
| Coordinates | 4125737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42.5 H33 Cl N2 O2 |
|---|---|
| Calculated formula | C42 H32.5 N2 O2 |
| 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 | 32.3784 ± 0.0006 Å |
| b | 9.7018 ± 0.0002 Å |
| c | 20.6093 ± 0.0003 Å |
| α | 90° |
| β | 93.171 ± 0.0006° |
| γ | 90° |
| Cell volume | 6464.1 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1533 |
| Weighted residual factors for all reflections included in the refinement | 0.1594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193116 (current) | 2017-03-04 | cif/ Adding structures of 4125737 via cif-deposit CGI script. |
4125737.cif |
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Users of the data should acknowledge the original authors of the
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