Information card for entry 4125738
| Formula |
C49 H42 Cl2 N2 O6 |
| Calculated formula |
C49 H42 Cl2 N2 O6 |
| 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 |
9.1275 ± 0.0002 Å |
| b |
12.7976 ± 0.0003 Å |
| c |
18.3106 ± 0.0004 Å |
| α |
88.7303 ± 0.0009° |
| β |
77.583 ± 0.0009° |
| γ |
74.5428 ± 0.0009° |
| Cell volume |
2011.87 ± 0.08 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0951 |
| Residual factor for significantly intense reflections |
0.086 |
| Weighted residual factors for significantly intense reflections |
0.257 |
| Weighted residual factors for all reflections included in the refinement |
0.2691 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.982 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4125738.html
