Information card for entry 7053937

Structure parameters

• Common name: Cl-ea, 298 K
• Chemical name: 2,4,6-triethyl-1,3,5-tris(4-chlorophenoxy)methylbenzene, ethyl acetate
• Formula: C37 H41 Cl3 O5
• Calculated formula: C33 H33 Cl3 O3
• Title of publication: The effect of temperature on interhalogen interactions in a series of isostructural organic systems
• Authors of publication: Saraswatula, Viswanadha G.; Saha, Binoy K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 3
• Pages of publication: 897
• a: 9.7599 ± 0.0007 Å
• b: 13.466 ± 0.0012 Å
• c: 14.7073 ± 0.0015 Å
• α: 110.972 ± 0.009°
• β: 92.061 ± 0.007°
• γ: 89.844 ± 0.007°
• Cell volume: 1803.6 ± 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: 0.147
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2636
• Weighted residual factors for all reflections included in the refinement: 0.3056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No