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Information card for entry 7229478
Preview
Coordinates | 7229478.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H27 N3 O6 S2 |
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Calculated formula | C31 H27 N3 O6 S2 |
SMILES | S(=O)(=O)(Nc1cccc2C(=O)c3cccc(NS(=O)(=O)c4ccc(cc4)C)c3C(=O)c12)c1ccc(cc1)C.N#CCC |
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 | 8.62524 ± 0.00016 Å |
b | 12.5088 ± 0.0002 Å |
c | 13.0025 ± 0.0002 Å |
α | 87.7507 ± 0.0011° |
β | 79.534 ± 0.001° |
γ | 85.0219 ± 0.0011° |
Cell volume | 1373.92 ± 0.04 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0683 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.1435 |
Weighted residual factors for all reflections included in the refinement | 0.1574 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7229478.html
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