Information card for entry 1547039

Structure parameters

• Common name: pillar[5]arene
• Chemical name: C-allyl-monohydroxy-nonamethoxy-pillar[5]arene
• Formula: C51.5 H61 O11.5
• Calculated formula: C51.5 H61 O11.5
• Title of publication: Expanding the Pillararene Chemistry: Synthesis and Application of a 10 + 1 Functionalized Pillar[5]arene.
• Authors of publication: Bojtár, Márton; Simon, András; Bombicz, Petra; Bitter, István
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4528 - 4531
• a: 22.9505 ± 0.0014 Å
• b: 10.6788 ± 0.0008 Å
• c: 37.929 ± 0.003 Å
• α: 90°
• β: 95.625 ± 0.017°
• γ: 90°
• Cell volume: 9251 ± 1.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1722
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No