Information card for entry 2300729

Structure parameters

• Common name: MBFP
• Chemical name: 2,5-bis(3-bromophenyl)furan
• Formula: C16 H10 Br2 O
• Calculated formula: C16 H10 Br2 O
• Title of publication: Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan
• Authors of publication: Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2024
• Journal volume: 57
• Journal issue: 1
• a: 3.9774 ± 0.0001 Å
• b: 10.7746 ± 0.0002 Å
• c: 31.2387 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1338.73 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes