Information card for entry 4087346

Structure parameters

• Common name: BrDFP
• Formula: C14 H7 Br2 O3 P
• Calculated formula: C14 H7 Br2 O3 P
• SMILES: Brc1oc2c(P(=O)(c3c2oc(Br)c3)c2ccccc2)c1
• Title of publication: Bridged Difurans: Stabilizing Furan with p-Block Elements
• Authors of publication: Cao, Hongda; Brettell-Adams, Ian A.; Qu, Fengrui; Rupar, Paul A.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 14
• Pages of publication: 2565
• a: 9.5439 ± 0.0004 Å
• b: 9.6719 ± 0.0003 Å
• c: 15.4504 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1426.19 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No