Information card for entry 7239166

Structure parameters

• Formula: C45 H50 O12
• Calculated formula: C45 H50 O12
• 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: 10.3617 ± 0.0004 Å
• b: 12.5519 ± 0.0007 Å
• c: 17.8498 ± 0.0009 Å
• α: 70.793 ± 0.005°
• β: 86.489 ± 0.004°
• γ: 66.809 ± 0.004°
• Cell volume: 2008.91 ± 0.19 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No