Information card for entry 4501830

Structure parameters

• Formula: C80 H144 Cl4 N4 O44
• Calculated formula: C80 H144 Cl4 N4 O44
• Title of publication: Reversible Phase Transition of the 1:1 Complexes of 18-Crown-6 with 4-Ethoxyanilinium Perchlorate
• Authors of publication: Ge, Jia-Zhen; Fu, Xue-Qun; Hang, Tian; Ye, Qiong; Xiong, Ren-Gen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 3632
• a: 10.657 ± 0.007 Å
• b: 14.592 ± 0.008 Å
• c: 17.533 ± 0.009 Å
• α: 90°
• β: 110.79 ± 0.03°
• γ: 90°
• Cell volume: 2549 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1576
• Residual factor for significantly intense reflections: 0.1292
• Weighted residual factors for significantly intense reflections: 0.3068
• Weighted residual factors for all reflections included in the refinement: 0.3283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No