Information card for entry 4502819

Structure parameters

• Common name: 1F, toluene
• Chemical name: 1,3,5-triethyl-2,4,6-tris(4-fluorophenoxy)methylbenzenes, toluene
• Formula: C47 H46 F3 O3
• Calculated formula: C43.5 H44.5 F3 O3
• Title of publication: Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes
• Authors of publication: Bhattacharya, Suman; Saha, Binoy K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 169
• a: 10.6112 ± 0.0006 Å
• b: 14.1378 ± 0.0013 Å
• c: 15.7189 ± 0.0012 Å
• α: 69.361 ± 0.008°
• β: 71.285 ± 0.006°
• γ: 78.462 ± 0.006°
• Cell volume: 2080 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1994
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2783
• Weighted residual factors for all reflections included in the refinement: 0.311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No