Information card for entry 7203076

Structure parameters

• Chemical name: N,N'-bis(3,5-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorophenol
• Formula: C30 H22 F10 N2 O4
• Calculated formula: C30 H22 F10 N2 O4
• SMILES: O=C(C(=O)Nc1cc(cc(c1)C)C)Nc1cc(cc(c1)C)C.Fc1c(O)c(c(c(c1F)F)F)F.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: 7.0285 ± 0.0005 Å
• b: 7.5525 ± 0.0005 Å
• c: 13.6546 ± 0.0009 Å
• α: 91.511 ± 0.005°
• β: 101.938 ± 0.006°
• γ: 92.892 ± 0.006°
• Cell volume: 707.74 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0447
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No