Information card for entry 7217397
| Formula |
C27 H45 N3 O6 |
| Calculated formula |
C27 H45 N3 O6 |
| SMILES |
O(C(=O)NCCCCCC)c1cc(OC(=O)NCCCCCC)cc(OC(=O)NCCCCCC)c1 |
| Title of publication |
An unsaturated hydrogen bonded network generated from three-fold symmetric carbamates |
| Authors of publication |
Wang, Zijun; Lee, Joseph; Oian, Casey; Hou, Xiaodong; Wang, Zhihan; Ugrinov, Angel; Singh, Rajiv K.; Wysocki, Erin; Chu, Qianli R. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
31 |
| Pages of publication |
7176 |
| a |
21.294 ± 0.0014 Å |
| b |
13.8436 ± 0.001 Å |
| c |
9.823 ± 0.0007 Å |
| α |
90° |
| β |
91.467 ± 0.004° |
| γ |
90° |
| Cell volume |
2894.7 ± 0.4 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0579 |
| Residual factor for significantly intense reflections |
0.0487 |
| Weighted residual factors for significantly intense reflections |
0.1285 |
| Weighted residual factors for all reflections included in the refinement |
0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.121 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7217397.html
