Information card for entry 7129065

Structure parameters

• Formula: C61 H53 O10
• Calculated formula: C61 H53 O10
• SMILES: O(c1cc2Cc3cc(OCC#C)c(cc3OC)Cc3cc(OCC#C)c(cc3OC)Cc3c(OC)cc(c(OCC#C)c3)Cc3cc(OCC#C)c(Cc1cc2OCC#C)cc3OC)Cc1ccccc1
• Title of publication: Rim-differentiated Co-pillar[4+1]arenes.
• Authors of publication: Zhao, Jianyi; Yang, Weiwei; Liang, Chuanyun; Gao, Liya; Xu, Jun; Sue, Andrew C.-H.; Zhao, Hongxia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 85
• Pages of publication: 11193 - 11196
• a: 12.093 ± 0.0006 Å
• b: 13.4589 ± 0.0008 Å
• c: 17.0755 ± 0.0007 Å
• α: 88.492 ± 0.004°
• β: 81.618 ± 0.004°
• γ: 77.71 ± 0.004°
• Cell volume: 2686.5 ± 0.2 ų
• Cell temperature: 100.01 ± 0.12 K
• Ambient diffraction temperature: 100.01 ± 0.12 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: 0.1692
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2225
• Weighted residual factors for all reflections included in the refinement: 0.2662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No