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Information card for entry 7229488
Preview
Coordinates | 7229488.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H70 F2 N4 O10 S4 |
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Calculated formula | C66 H68 F2 N4 O10 S4 |
Title of publication | Selective MeCN/EtCN sorption and preferential inclusion of substituted benzenes in a cage structure with arylsulfonamide-armed anthraquinones |
Authors of publication | Takeda, Takashi; Noro, Shin-ichiro; Nakamura, Takayoshi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 1 |
Pages of publication | 17 |
a | 10.9315 ± 0.0002 Å |
b | 12.0707 ± 0.0002 Å |
c | 12.7651 ± 0.0002 Å |
α | 84.8346 ± 0.0007° |
β | 72.9469 ± 0.0007° |
γ | 75.4678 ± 0.0007° |
Cell volume | 1558.54 ± 0.05 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0599 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for significantly intense reflections | 0.1262 |
Weighted residual factors for all reflections included in the refinement | 0.1341 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7229488.html
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Users of the data should acknowledge the original authors of the
structural data.