Information card for entry 1549355

Structure parameters

• Chemical name: 3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran
• Formula: C28 H20 Br2 O
• Calculated formula: C28 H20 Br2 O
• SMILES: BrC1=C(Br)C(OC1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran
• Authors of publication: Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 4
• Pages of publication: x180416
• a: 9.4301 ± 0.0005 Å
• b: 9.4561 ± 0.0005 Å
• c: 24.8572 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2216.6 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0267
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes