Information card for entry 2105512

Structure parameters

• Chemical name: 4,4'-Sulfonyldiphenol-1,4,8,11-tetraazacyclotetradecane (2/1)
• Formula: C34 H44 N4 O8 S2
• Calculated formula: C34 H44 N4 O8 S2
• Title of publication: Crystal Engineering Using Bis- and Tris-phenols. Adducts with 1,4,8,11-Tetraazacyclotetradecane (Cyclam): Isolated Ladders in the Adduct with 4,4'-Thiodiphenol, Tethered Ladders in the Adduct with 4,4'-Sulfonyldiphenol and Two Interwoven Three-Dimensional Networks in the Adduct with 1,1,1-Tris(4-hydroxyphenyl)ethane
• Authors of publication: Ferguson, G.; Glidewell, C.; Gregson, R. M.; Meehan, P. R.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 139 - 150
• a: 10.9345 ± 0.001 Å
• b: 11.006 ± 0.001 Å
• c: 14.35 ± 0.002 Å
• α: 79.532 ± 0.01°
• β: 86.739 ± 0.01°
• γ: 87.471 ± 0.01°
• Cell volume: 1694.5 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No