Information card for entry 4029628
| Formula |
C37 H45 N10 O11 |
| Calculated formula |
C37 H45 N10 O11 |
| Title of publication |
α,ε-Hybrid Foldamers with 1,2,3-Triazole Rings: Order versus Disorder. |
| Authors of publication |
Milli, Lorenzo; Larocca, Michele; Tedesco, Mattia; Castellucci, Nicola; Ghibaudi, Elena; Cornia, Andrea; Calvaresi, Matteo; Zerbetto, Francesco; Tomasini, Claudia |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2014 |
| Journal volume |
79 |
| Journal issue |
13 |
| Pages of publication |
5958 - 5969 |
| a |
11.3992 ± 0.0007 Å |
| b |
9.8228 ± 0.0004 Å |
| c |
19.0001 ± 0.0012 Å |
| α |
90° |
| β |
94.297 ± 0.002° |
| γ |
90° |
| Cell volume |
2121.5 ± 0.2 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0801 |
| Residual factor for significantly intense reflections |
0.0534 |
| Weighted residual factors for significantly intense reflections |
0.1356 |
| Weighted residual factors for all reflections included in the refinement |
0.1504 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.018 |
| 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/4029628.html
