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Information card for entry 4518487
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4518487.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H82 Br12 O12 |
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Calculated formula | C75 H82 Br12 O12 |
Title of publication | Highly Selective Separation of Isopropylbenzene and α-Methylstyrene by Nonporous Adaptive Crystals of Perbromoethylated Pillararene via Vapor- and Liquid-Phase Adsorptions. |
Authors of publication | Zhu, Weijie; Li, Errui; Huang, Feihe |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2021 |
Journal volume | 13 |
Journal issue | 6 |
Pages of publication | 7370 - 7376 |
a | 13.7487 ± 0.0003 Å |
b | 14.2271 ± 0.0003 Å |
c | 21.6029 ± 0.0006 Å |
α | 78.509 ± 0.001° |
β | 76.447 ± 0.001° |
γ | 74.69 ± 0.001° |
Cell volume | 3919.43 ± 0.16 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170.15 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 | 0.0876 |
Residual factor for significantly intense reflections | 0.0824 |
Weighted residual factors for significantly intense reflections | 0.2105 |
Weighted residual factors for all reflections included in the refinement | 0.2139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4518487.html
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Users of the data should acknowledge the original authors of the
structural data.