Information card for entry 2001724

Structure parameters

• Formula: C7 H2 Br2 O4
• Calculated formula: C7 H2 Br2 O4
• SMILES: BrC1=CC(=O)OC21OC(=O)C=C2Br
• Title of publication: Structure of 4,9-dibromo-1,6-dioxaspiro[4.4]nona-3,8-diene-2,7-dione, C~7~H~2~Br~2~O~4~
• Authors of publication: Kožíšek, J.; Dvorský, A.; Végh, D.; Jakubcová, M.; Ječný, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 990 - 992
• a: 8.054 ± 0.003 Å
• b: 16.013 ± 0.01 Å
• c: 7.48 ± 0.003 Å
• α: 90°
• β: 111.28 ± 0.03°
• γ: 90°
• Cell volume: 898.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0623
• Goodness-of-fit parameter for significantly intense reflections: 2.3
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No