Information card for entry 7220273

Structure parameters

• Common name: C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate
• Chemical name: C-methyl tetramethoxy resorcinarene bis-crown-5 dichloromethane methanol solvate
• Formula: C54 H74 Cl2 O15
• Calculated formula: C54 H74 Cl2 O15
• 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: 17.9718 ± 0.0004 Å
• b: 19.3215 ± 0.0003 Å
• c: 15.5981 ± 0.0002 Å
• α: 90°
• β: 102.183 ± 0.0017°
• γ: 90°
• Cell volume: 5294.33 ± 0.16 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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: 0.1117
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2789
• Weighted residual factors for all reflections included in the refinement: 0.2996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No