Information card for entry 1515150

Structure parameters

• Formula: C16 H8 Br2 O4
• Calculated formula: C16 H8 Br2 O4
• SMILES: Brc1cocc1c1cocc1c1cocc1c1cocc1Br
• 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: 13.2036 ± 0.0004 Å
• b: 7.7069 ± 0.0002 Å
• c: 14.7968 ± 0.0005 Å
• α: 90°
• β: 107.154 ± 0.0015°
• γ: 90°
• Cell volume: 1438.72 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No