Information card for entry 7055760
| Formula |
C162.5 H199.5 Cl2.5 N10 O12 S8 |
| Calculated formula |
C162.5 H199.5 Cl2.5 N10 O12 S8 |
| Title of publication |
A study of anion binding behaviour of 1,3-alternate thiacalix[4]arene-based receptors bearing urea moieties |
| Authors of publication |
Rahman, Shofiur; Tomiyasu, Hirotsugu; Kawazoe, Hiroto; Zhao, Jiang-Lin; Cong, Hang; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Warwick, Thomas G.; Teat, Simon J.; Redshaw, Carl; Georghiou, Paris E.; Yamato, Takehiko |
| Journal of publication |
New J. Chem. |
| Year of publication |
2016 |
| Journal volume |
40 |
| Journal issue |
11 |
| Pages of publication |
9245 |
| a |
15.1315 ± 0.0005 Å |
| b |
28.8618 ± 0.0011 Å |
| c |
35.9491 ± 0.0013 Å |
| α |
104.778 ± 0.002° |
| β |
94.065 ± 0.002° |
| γ |
92.353 ± 0.002° |
| Cell volume |
15113.8 ± 1 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.11 |
| Residual factor for significantly intense reflections |
0.0675 |
| Weighted residual factors for significantly intense reflections |
0.1629 |
| Weighted residual factors for all reflections included in the refinement |
0.1848 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.007 |
| Diffraction radiation wavelength |
0.7749 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7055760.html
