Information card for entry 7052466

Structure parameters

• Chemical name: N,N'-diphenyl-3,6,9-trioxaundecanedicarboxamide
• Formula: C20 H28 N2 O7
• Calculated formula: C20 H28 N2 O7
• 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: 11.726 ± 0.003 Å
• b: 8.518 ± 0.003 Å
• c: 20.943 ± 0.006 Å
• α: 90°
• β: 91.31 ± 0.02°
• γ: 90°
• Cell volume: 2091.3 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.034
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections: 1.439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.485
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No