Information card for entry 7239165

Structure parameters

• Formula: C43 H35 N3 O10
• Calculated formula: C43 H35 N3 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: 12.0359 ± 0.0003 Å
• b: 21.1081 ± 0.0005 Å
• c: 14.8313 ± 0.0004 Å
• α: 90°
• β: 98.54 ± 0.003°
• γ: 90°
• Cell volume: 3726.19 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No