Information card for entry 7225581

Structure parameters

• Formula: C74 H116 Cl3 I3 N4 O12
• Calculated formula: C74 H116 Cl3 I3 N4 O12
• 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: 12.0439 ± 0.0008 Å
• b: 13.194 ± 0.0005 Å
• c: 25.6543 ± 0.001 Å
• α: 102.364 ± 0.003°
• β: 93.086 ± 0.005°
• γ: 90.337 ± 0.004°
• Cell volume: 3975.7 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.2347
• Weighted residual factors for all reflections included in the refinement: 0.285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No