Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1553865
Preview
Coordinates | 1553865.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H86 Cl2 O10 |
---|---|
Calculated formula | C82 H86 Cl2 O10 |
SMILES | ClCCl.O(c1c2cc(OC)c(c1)Cc1c(OCc3ccccc3)cc(c(OC)c1)Cc1c(OCc3ccccc3)cc(c(OC)c1)Cc1c(OCc3ccccc3)cc(c(OC)c1)Cc1c(OCc3ccccc3)cc(c(OC)c1)C2)Cc1ccccc1.CCCCCC |
Title of publication | A new approach for the synthesis of mono- and A1/A2-dihydroxy-substituted pillar[5]arenes and their complexation with alkyl alcohols in solution and in the solid state |
Authors of publication | Al-Azemi, Talal F.; Mohamod, Abdirahman A.; Vinodh, Mickey; Alipour, Fatemeh H. |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | 1 |
Pages of publication | 10 |
a | 12.2178 ± 0.001 Å |
b | 15.0675 ± 0.0014 Å |
c | 20.9593 ± 0.0017 Å |
α | 78.186 ± 0.006° |
β | 85.869 ± 0.006° |
γ | 67.284 ± 0.005° |
Cell volume | 3483.6 ± 0.5 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.3493 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.293 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
236101 (current) | 2019-11-24 | cif/ Adding structures of 1553856, 1553857, 1553858, 1553859, 1553860, 1553861, 1553862, 1553863, 1553864, 1553865 via cif-deposit CGI script. |
1553865.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.