Information card for entry 7220278

Structure parameters

• Common name: C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate
• Chemical name: C-methyl tetramethoxy resorcinarene mono-crown-5 chloroform solvate monohydrate
• Formula: C44.5 H56 Cl1.5 D0.5 O12
• Calculated formula: C44.5 H56.5 Cl1.5 O12
• 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: 15.805 ± 0.0007 Å
• b: 16.2661 ± 0.0007 Å
• c: 18.4549 ± 0.0006 Å
• α: 94.688 ± 0.003°
• β: 95.58 ± 0.003°
• γ: 117.328 ± 0.004°
• Cell volume: 4151.9 ± 0.3 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No