Information card for entry 7203075

Structure parameters

• Chemical name: N,N'-bis(2,6-dimethylphenyl)ethanediamide bis-2,3,4,5,6-pentafluorophenol
• Formula: C30 H22 F10 N2 O4
• Calculated formula: C30 H22 F10 N2 O4
• SMILES: C(=O)(C(=O)Nc1c(cccc1C)C)Nc1c(cccc1C)C.c1(c(c(c(c(c1F)F)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: 15.6385 ± 0.0009 Å
• b: 6.974 ± 0.0006 Å
• c: 15.1543 ± 0.001 Å
• α: 90°
• β: 118.275 ± 0.006°
• γ: 90°
• Cell volume: 1455.6 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No