Information card for entry 7220272

Structure parameters

• Common name: C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate
• Chemical name: C-methyl tetramethoxy resorcinarene bis-crown-5 acetonitrile solvate
• Formula: C54 H71 N O14
• Calculated formula: C54 H71 N 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: 8.9268 ± 0.0003 Å
• b: 14.4126 ± 0.0007 Å
• c: 20.6525 ± 0.0011 Å
• α: 85.264 ± 0.002°
• β: 85.152 ± 0.002°
• γ: 73.771 ± 0.003°
• Cell volume: 2537.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No