Information card for entry 7224408

Structure parameters

• Formula: C53 H58 N2 O16
• Calculated formula: C53 H58 N2 O16
• Title of publication: Conformational changes in Cmethyl-resorcinarene pyridine N-oxide inclusion complexes in the solid state
• Authors of publication: Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Rissanen, Kari
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4971
• a: 16.5611 ± 0.0004 Å
• b: 20.8203 ± 0.0008 Å
• c: 14.9973 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5171.2 ± 0.3 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No