Information card for entry 4516532

Structure parameters

• Chemical name: p-toluenesulfonamide 18-crown-6 complex
• Formula: C26 H42 N2 O10 S2
• Calculated formula: C26 H42 N2 O10 S2
• Title of publication: Supramolecular Recognition and Energy Frameworks in Host‒Guest Complexes of 18-Crown-6 and Sulfonamides
• Authors of publication: Shi, Ming W.; Thomas, Sajesh P.; Koutsantonis, George A.; Spackman, Mark A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 5892
• a: 17.5382 ± 0.0003 Å
• b: 8.96058 ± 0.00015 Å
• c: 19.9529 ± 0.0003 Å
• α: 90°
• β: 101.259 ± 0.0014°
• γ: 90°
• Cell volume: 3075.3 ± 0.09 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No