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Information card for entry 7106943
Preview
Coordinates | 7106943.cif |
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Original paper (by DOI) | HTML |
Formula | C65 H84 N4 O10 |
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Calculated formula | C65 H84 N4 O10 |
SMILES | n1(ccnc1)CCCCn1cncc1.O(c1c2cc(OCC)c(c1)Cc1c(OCC)cc(c(OCC)c1)Cc1cc(OCC)c(cc1OCC)Cc1c(OCC)cc(c(OCC)c1)Cc1c(OCC)cc(c(OCC)c1)C2)CC |
Title of publication | Novel Neutral Guest Recognition and Interpenetrated Complex Formation from Pillar[5]arenes |
Authors of publication | Chunju Li; Songhui Chen; Jian Li; Kang Han; Min Xu; Bingjie Hu; Yihua Yu; Xueshun Jia |
Journal of publication | Chem.Commun. |
Year of publication | 2011 |
Journal volume | 47 |
Pages of publication | 11294 |
a | 13.215 ± 0.002 Å |
b | 22.647 ± 0.004 Å |
c | 20.966 ± 0.004 Å |
α | 90° |
β | 100.064 ± 0.003° |
γ | 90° |
Cell volume | 6178.2 ± 1.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.179 |
Residual factor for significantly intense reflections | 0.0866 |
Weighted residual factors for significantly intense reflections | 0.2308 |
Weighted residual factors for all reflections included in the refinement | 0.2895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7106943.html
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Users of the data should acknowledge the original authors of the
structural data.