Information card for entry 1549344

Structure parameters

• Common name: 1,3-di(4-bromophenyl)propane
• Chemical name: 1,3-Bis(4-bromophenyl)propane
• Formula: C15 H14 Br2
• Calculated formula: C15 H14 Br2
• SMILES: Brc1ccc(CCCc2ccc(Br)cc2)cc1
• Title of publication: 1,3-Bis(4-bromophenyl)propane
• Authors of publication: Peloquin, Andrew J.; Godman, Nicholas P.; Allison, Bruce D.; Balaich, Gary J.; Iacono, Scott T.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 4
• Pages of publication: x180563
• a: 7.4526 ± 0.0013 Å
• b: 5.8441 ± 0.001 Å
• c: 16.278 ± 0.003 Å
• α: 90°
• β: 101.808 ± 0.002°
• γ: 90°
• Cell volume: 694 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.376
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes