Information card for entry 2312760

Structure parameters

• Chemical name: Benzylammonium bis(methanesulfonyl)azanide; 1,4,7,10,13,16-hexaoxacyclooctadecane
• Formula: C21 H40 N2 O10 S2
• Calculated formula: C21 H40 N2 O10 S2
• Title of publication: Two nonlinear optically responsive crown ether inclusion compounds based on a sulfonimide anion assembly.
• Authors of publication: Zhang, Yao; Wang, Yan Juan; Tang, Yuan Yuan; Chen, Xiao Gang
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 3
• Pages of publication: 140 - 145
• a: 7.99791 ± 0.00011 Å
• b: 16.29632 ± 0.00019 Å
• c: 10.52351 ± 0.00013 Å
• α: 90°
• β: 105.683 ± 0.0013°
• γ: 90°
• Cell volume: 1320.53 ± 0.03 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes