Information card for entry 7219895

Structure parameters

• Formula: C21 H26 N4 O6 S
• Calculated formula: C21 H26 N4 O6 S
• Title of publication: Conformational adaptations of acyclic receptor templated by weakly coordinating anions
• Authors of publication: Đilović, I.; Užarević, K.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 3153
• a: 33.554 ± 0.007 Å
• b: 13.996 ± 0.003 Å
• c: 18.645 ± 0.004 Å
• α: 90°
• β: 100.54 ± 0.03°
• γ: 90°
• Cell volume: 8608 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No