Information card for entry 7203074

Structure parameters

• Chemical name: N,N'-dimesitylethanediamide 2,3,4,5,6-pentafluorophenol 1:2
• Formula: C16 H13 F5 N O2
• Calculated formula: C16 H13 F5 N O2
• 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: 6.9797 ± 0.0007 Å
• b: 8.1338 ± 0.0007 Å
• c: 15.0081 ± 0.0011 Å
• α: 78.383 ± 0.007°
• β: 80.223 ± 0.007°
• γ: 67.53 ± 0.008°
• Cell volume: 767.15 ± 0.12 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No