Information card for entry 1515153

Structure parameters

• Formula: C20 H10 Br2 O5
• Calculated formula: C20 H10 Br2 O5
• SMILES: Brc1cocc1c1cocc1c1cocc1c1cocc1c1cocc1Br
• Title of publication: β-Oligofurans
• Authors of publication: Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 2133
• a: 8.1262 ± 0.0011 Å
• b: 15.991 ± 0.002 Å
• c: 13.825 ± 0.002 Å
• α: 90°
• β: 101.243 ± 0.005°
• γ: 90°
• Cell volume: 1762 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections: 0.1237
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No