Information card for entry 8103160

Structure parameters

• Chemical name: 2,4-bis((4-bromophenoxy)methyl)-1,3,5-trimethylbenzene
• Formula: C11.5 H11 Br O
• Calculated formula: C11.5 H11 Br O
• Title of publication: Crystal structure of 2,4-bis((4-bromophenoxy)methyl)-1,3,5-trimethylbenzene, C23H22Br2O2
• Authors of publication: Wei-Qiu Kan; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 403
• a: 8.6594 ± 0.0007 Å
• b: 7.973 ± 0.0006 Å
• c: 15.1266 ± 0.0008 Å
• α: 90°
• β: 94.539 ± 0.006°
• γ: 90°
• Cell volume: 1041.09 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No