Information card for entry 7220279

Structure parameters

• Common name: C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrilesolvate
• Chemical name: C-methyl tetramethoxy resorcinarene mono-crown-5 acetonitrile solvate
• Formula: C46 H57 N O11
• Calculated formula: C46 H57 N O11
• 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: 17.5554 ± 0.0003 Å
• b: 13.43772 ± 0.00018 Å
• c: 19.9408 ± 0.0004 Å
• α: 90°
• β: 114.831 ± 0.002°
• γ: 90°
• Cell volume: 4269.23 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No