Information card for entry 7051282

Structure parameters

• Chemical name: N,N'-bis(3,5-dimethylisophtalate)-3,6,9-trioxaundecanedicarboxamide
• Formula: C56 H66 N4 O27
• Calculated formula: C56 H66 N4 O27
• Title of publication: Unprecedented role of water in self-assembly of potential molecular tweezers
• Authors of publication: Sylvie Meyer; Rémy Louis; Bernard Metz; Yvette Agnus; Alexandre Varnek; Maurice Gross
• Journal of publication: New J. Chem.
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 371 - 376
• a: 11.318 ± 0.002 Å
• b: 24.444 ± 0.005 Å
• c: 11.069 ± 0.001 Å
• α: 96.17 ± 0.01°
• β: 101.24 ± 0.01°
• γ: 77.23 ± 0.02°
• Cell volume: 2922.6 ± 0.9 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No