Information card for entry 1550840
| Formula |
C39 H46 N4 O4 S |
| Calculated formula |
C39 H46 N4 O4 S |
| SMILES |
S(=O)(=O)(Nc1c2C(=O)N(C3(c2ccc1)c1ccc(N(CC)CC)cc1Oc1cc(N(CC)CC)ccc31)CCCC)c1ccc(cc1)C |
| Title of publication |
A H-Bond Strategy to Develop Acid-Resistant Photoswitchable Rhodamine Spirolactams for Super-Resolution Single-Molecule Localization Microscopy |
| Authors of publication |
Qi, Qingkai; Chi, Weijie; Li, Yuanyuan; Qiao, Qinglong; Chen, Jie; Miao, Lu; Zhang, Yi; Li, Jin; Ji, Wei; Xu, Tao; Liu, Xiaogang; Yoon, Juyoung; Xu, Zhaochao |
| Journal of publication |
Chemical Science |
| Year of publication |
2019 |
| a |
11.7633 ± 0.0008 Å |
| b |
12.4781 ± 0.0009 Å |
| c |
13.0623 ± 0.0009 Å |
| α |
106.839 ± 0.006° |
| β |
100.035 ± 0.006° |
| γ |
93.786 ± 0.006° |
| Cell volume |
1793.2 ± 0.2 Å3 |
| Cell temperature |
126 ± 2 K |
| Ambient diffraction temperature |
126.15 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 |
0.1034 |
| Residual factor for significantly intense reflections |
0.08 |
| Weighted residual factors for significantly intense reflections |
0.2216 |
| Weighted residual factors for all reflections included in the refinement |
0.2367 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.114 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1550840.html
