Information card for entry 7239164

Structure parameters

• Formula: C40 H34 Cl2 O10
• 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 ų
• 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