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Information card for entry 1553863
Preview
Coordinates | 1553863.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H110 O10 |
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Calculated formula | C75 H110 O10 |
SMILES | Oc1cc2c(OCCCCCCCC)cc1Cc1c(OCCCCCCCC)cc(Cc3cc(OCCCCCCCC)c(Cc4cc(O)c(Cc5c(OCCCCCCCC)cc(C2)c(O)c5)cc4OCCCCCCCC)cc3O)c(O)c1 |
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 | 16.619 ± 0.003 Å |
b | 16.686 ± 0.003 Å |
c | 16.858 ± 0.003 Å |
α | 95.191 ± 0.007° |
β | 117.822 ± 0.009° |
γ | 114.325 ± 0.008° |
Cell volume | 3527.9 ± 1.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.1159 |
Weighted residual factors for all reflections included in the refinement | 0.3888 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.799 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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