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Information card for entry 7126957
Preview
Coordinates | 7126957.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C132 H158 Cl6 N4 O28 |
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Calculated formula | C132 H158 Cl6 N4 O28 |
SMILES | ClC(Cl)Cl.ClC(Cl)Cl.O(c1cc2Cc3c4Oc5cc(Oc6c7cc(Oc8c(N(=O)=O)cc(N(=O)=O)c(Oc(c(Cc9c(OCCC)cc(Cc%10c(OCCC)cc(Cc%11c(OCCC)cc(Cc1cc2OCCC)c(OCCC)c%11)c(OCCC)c%10)c(OCCC)c9)c4)c3)c8)c(c6)Cc1c(OCCC)cc(c(OCCC)c1)Cc1c(OCCC)cc(c(OCCC)c1)Cc1c(OCCC)cc(c(OCCC)c1)Cc1c(OCCC)cc(c(OCCC)c1)C7)c(N(=O)=O)cc5N(=O)=O)CCC |
Title of publication | Oxacalix[4]arene-bridged pillar[5]arene dimers: syntheses, planar chirality and construction of chiral rotaxanes. |
Authors of publication | Wan, Kang; Gao, Shi-Chang; Fang, Xu; Xu, Meng-Yu; Yang, Yong; Xue, Min |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2020 |
Journal volume | 56 |
Journal issue | 70 |
Pages of publication | 10155 - 10158 |
a | 14.4932 ± 0.0011 Å |
b | 21.9303 ± 0.0016 Å |
c | 24.2711 ± 0.0018 Å |
α | 85.199 ± 0.002° |
β | 74.81 ± 0.002° |
γ | 83.34 ± 0.002° |
Cell volume | 7383.1 ± 1 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 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 | 0.1366 |
Residual factor for significantly intense reflections | 0.0898 |
Weighted residual factors for significantly intense reflections | 0.2653 |
Weighted residual factors for all reflections included in the refinement | 0.301 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7126957.html
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