Information card for entry 2004167

Structure parameters

• Formula: C10 H10 Br2 O2
• Calculated formula: C10 H10 Br2 O2
• Title of publication: 2-Bromo-4-[2-bromo-(<i>E</i>)-propylidene]-6-methoxy-2,5-cyclohexadien-1-one
• Authors of publication: Li, S.; Lundquist, K.; Soubbotin, N.; Stomberg, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2366 - 2369
• a: 7.75 ± 0.004 Å
• b: 13.131 ± 0.006 Å
• c: 10.912 ± 0.003 Å
• α: 90°
• β: 91.22 ± 0.03°
• γ: 90°
• Cell volume: 1110.2 ± 0.8 ų
• Cell temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.031
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No