Information card for entry 7039834
| Formula |
C44 H35 N5 O4 |
| Calculated formula |
C44 H35 N5 O4 |
| SMILES |
Oc1c2cc(cc1C=Nc1ccccc1Oc1ccccc1N=Cc1c(O)c(cc(c1)C)C=Nc1ccccc1Oc1ccccc1N=C2)C.N#CC |
| Title of publication |
Structural studies of Schiff-base [2 + 2] macrocycles derived from 2,2'-oxydianiline and the ROP capability of their organoaluminium complexes. |
| Authors of publication |
Yang, Wenxue; Zhao, Ke-Qing; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Elsegood, Mark R. J.; Redshaw, Carl |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2016 |
| Journal volume |
45 |
| Journal issue |
30 |
| Pages of publication |
11990 - 12005 |
| a |
11.0841 ± 0.0006 Å |
| b |
12.2117 ± 0.0006 Å |
| c |
13.8841 ± 0.0007 Å |
| α |
86.13 ± 0.001° |
| β |
74.978 ± 0.001° |
| γ |
89.636 ± 0.001° |
| Cell volume |
1810.81 ± 0.16 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0593 |
| Residual factor for significantly intense reflections |
0.0496 |
| Weighted residual factors for significantly intense reflections |
0.1324 |
| Weighted residual factors for all reflections included in the refinement |
0.1407 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.024 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7039834.html
