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Information card for entry 4032964
Preview
Coordinates | 4032964.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C164 H170 O24 |
---|---|
Calculated formula | C164 H170 O24 |
SMILES | O(c1cc2c(OC)cc1Cc1cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(C2)cc5OCc2ccccc2)cc4OCc2ccccc2)cc3OCc2ccccc2)cc1OCc1ccccc1)Cc1ccccc1.O(c1c2cc(OC)c(c1)Cc1c(OC)cc(Cc3c(OC)cc(Cc4c(OC)cc(Cc5c(OC)cc(C2)c(OCc2ccccc2)c5)c(OCc2ccccc2)c4)c(OCc2ccccc2)c3)c(OCc2ccccc2)c1)Cc1ccccc1.O=C(OCC)C.O=C(OCC)C.CCCCCC |
Title of publication | Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures. |
Authors of publication | Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 20 |
Pages of publication | 10945 - 10952 |
a | 16.77 ± 0.04 Å |
b | 21.69 ± 0.05 Å |
c | 18.89 ± 0.04 Å |
α | 90° |
β | 93.48 ± 0.04° |
γ | 90° |
Cell volume | 6858 ± 3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for significantly intense reflections | 0.0751 |
Weighted residual factors for all reflections included in the refinement | 0.2118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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