Information card for entry 7209976
| Formula |
C83 H76 N15 O12 |
| Calculated formula |
C83 H76 N15 O12 |
| Title of publication |
Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties |
| Authors of publication |
Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi |
| Journal of publication |
CrystEngComm |
| Year of publication |
2013 |
| Journal volume |
15 |
| Journal issue |
26 |
| Pages of publication |
5337 |
| a |
29.174 ± 0.004 Å |
| b |
16.934 ± 0.002 Å |
| c |
18.119 ± 0.002 Å |
| α |
90° |
| β |
110.166 ± 0.002° |
| γ |
90° |
| Cell volume |
8402.6 ± 1.8 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.1026 |
| Residual factor for significantly intense reflections |
0.0818 |
| Weighted residual factors for significantly intense reflections |
0.2206 |
| Weighted residual factors for all reflections included in the refinement |
0.251 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.077 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7209976.html
