Information card for entry 7051281

Structure parameters

• Chemical name: N,N'-bis(3,5-dinitrophenyl)-3,6,9-trioxaundecanedicarboxamide
• Formula: C20 H22 N6 O14
• Calculated formula: C20 H22 N6 O14
• 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: 7.994 ± 0.001 Å
• b: 21.67 ± 0.003 Å
• c: 14.741 ± 0.003 Å
• α: 90°
• β: 101.91 ± 0.01°
• γ: 90°
• Cell volume: 2498.6 ± 0.7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• 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: 0.094
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No