Information card for entry 7203073

Structure parameters

• Chemical name: N,N'-diphenylethanediamide 2,3,4,5,6-pentafluorophenol 1:2
• Formula: C26 H14 F10 N2 O4
• Calculated formula: C26 H14 F10 N2 O4
• SMILES: C(=O)(Nc1ccccc1)C(=O)Nc1ccccc1.c1(c(F)c(c(c(c1F)F)F)F)O.c1(c(c(c(c(c1F)F)F)F)F)O
• Title of publication: Aryl‒perfluoroaryl stacking interactions, hydrogen bonding and steric effects in controlling the structure of supramolecular assemblies of N,N′-diaryloxalamides
• Authors of publication: Piotrkowska, Barbara; Gdaniec, Maria; Milewska, Maria J.; Połoński, Tadeusz
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 868
• a: 9.9263 ± 0.0005 Å
• b: 5.6969 ± 0.0005 Å
• c: 21.257 ± 0.0013 Å
• α: 90°
• β: 94.431 ± 0.005°
• γ: 90°
• Cell volume: 1198.47 ± 0.14 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0518
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No