Information card for entry 7220271

Structure parameters

• Common name: C-methyl tetramethoxy resorcinarene bis-crown-5
• Chemical name: C-methyl tetramethoxy resorcinarene bis-crown-5
• Formula: C52 H68 O14
• Calculated formula: C52 H68 O14
• Title of publication: Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5
• Authors of publication: Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 3667
• a: 11.3557 ± 0.0013 Å
• b: 13.324 ± 0.002 Å
• c: 16.537 ± 0.003 Å
• α: 108.171 ± 0.008°
• β: 94.406 ± 0.008°
• γ: 92.266 ± 0.007°
• Cell volume: 2365 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0898
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No