Information card for entry 4515303

Structure parameters

• Formula: C57 H60 O11
• Calculated formula: C57 H60 O11
• Title of publication: Aliphatic Aldehyde Detection and Adsorption by Nonporous Adaptive Pillar[4]arene[1]quinone Crystals with Vapochromic Behavior.
• Authors of publication: Li, Errui; Jie, Kecheng; Zhou, Yujuan; Zhao, Run; Zhang, Bo; Wang, Qi; Liu, Jiyong; Huang, Feihe
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 27
• Pages of publication: 23147 - 23153
• a: 40.8447 ± 0.0015 Å
• b: 11.5057 ± 0.0004 Å
• c: 22.7109 ± 0.0009 Å
• α: 90°
• β: 91.315 ± 0.003°
• γ: 90°
• Cell volume: 10670.1 ± 0.7 ų
• Cell temperature: 172.8 K
• Ambient diffraction temperature: 172.8 K
• Number of distinct elements: 3
• 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: 0.1507
• Residual factor for significantly intense reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.3073
• Weighted residual factors for all reflections included in the refinement: 0.3265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No