Information card for entry 2221534

Structure parameters

• Chemical name: Bis[2-(3-bromopropoxy)-5-methylphenyl]methane
• Formula: C21 H26 Br2 O2
• Calculated formula: C21 H26 Br2 O2
• SMILES: BrCCCOc1ccc(cc1Cc1cc(ccc1OCCCBr)C)C
• Title of publication: Bis[2-(3-bromopropoxy)-5-methylphenyl]methane
• Authors of publication: Hussain, Zahid; Shah, Muhammad Raza; Anis, Itrat; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o907
• a: 12.0054 ± 0.0002 Å
• b: 11.9336 ± 0.0002 Å
• c: 14.2827 ± 0.0002 Å
• α: 90°
• β: 100.777 ± 0.001°
• γ: 90°
• Cell volume: 2010.16 ± 0.06 ų
• Cell temperature: 423 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes