Information card for entry 7241244

Structure parameters

• Formula: C74 H75 N O8 S4
• Calculated formula: C74 H75 N O8 S4
• Title of publication: Smart control of calixarene polymorphic states
• Authors of publication: Gabdulkhaev, Mukhammet Nafisovich; Ziganshin, Marat; Buzyurov, Aleksey V.; Schick, Christoph; Solovieva, Svetlana; Popova, Elena; Gubaidullin, Aidar Timergalievich; Gorbatchuk, Valery
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 14.832 ± 0.0013 Å
• b: 14.9045 ± 0.0014 Å
• c: 17.2172 ± 0.0014 Å
• α: 68.262 ± 0.004°
• β: 81.191 ± 0.004°
• γ: 74.94 ± 0.004°
• Cell volume: 3407.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1936
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No