Information card for entry 7053943

Structure parameters

• Common name: Br-ea, 298 K
• Chemical name: 2,4,6-triethyl-1,3,5-tris(4-bromophenoxy)methylbenzene, ethyl acetate
• Formula: C37 H41 Br3 O5
• Calculated formula: C33 H33 Br3 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: 9.8063 ± 0.0006 Å
• b: 13.4053 ± 0.0012 Å
• c: 15.0177 ± 0.001 Å
• α: 110.995 ± 0.008°
• β: 92.706 ± 0.005°
• γ: 90.183 ± 0.006°
• Cell volume: 1840.6 ± 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: 0.151
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No