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Information card for entry 7239164
Preview
Coordinates | 7239164.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H34 Cl2 O10 |
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Calculated formula | C40 H34 Cl2 O10 |
Title of publication | A pillar[2]arene[3]hydroquinone which can self-assemble to form a molecular zipper in the solid state |
Authors of publication | Pan, Mingguang; Xue, Min |
Journal of publication | RSC Advances |
Year of publication | 2013 |
Journal volume | 3 |
Journal issue | 43 |
Pages of publication | 20287 |
a | 11.5284 ± 0.0002 Å |
b | 15.3983 ± 0.0003 Å |
c | 20.2646 ± 0.0004 Å |
α | 90° |
β | 91.7392 ± 0.0017° |
γ | 90° |
Cell volume | 3595.67 ± 0.12 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 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 | 0.0644 |
Residual factor for significantly intense reflections | 0.058 |
Weighted residual factors for significantly intense reflections | 0.1623 |
Weighted residual factors for all reflections included in the refinement | 0.1695 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
244577 (current) | 2019-11-28 | cif/ Adding structures of 7239164, 7239165, 7239166 via cif-deposit CGI script. |
7239164.cif |
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Users of the data should acknowledge the original authors of the
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