Information card for entry 7225584

Structure parameters

• Formula: C88 H128 Br7 I5 N8 O24
• Calculated formula: C88 H128 Br7 I5 N8 O24
• Title of publication: N-Alkyl ammonium resorcinarene polyiodides
• Authors of publication: Pan, Fangfang; Beyeh, Ngong Kodiah; Ras, Robin H. A.; Rissanen, Kari
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 30
• Pages of publication: 5724
• a: 12.3868 ± 0.0002 Å
• b: 12.3868 ± 0.0002 Å
• c: 36.9094 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5663.1 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.3201
• Weighted residual factors for all reflections included in the refinement: 0.3311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No