Information card for entry 2016932

Structure parameters

• Common name: 6,12-dibromodibenzo[<i>d</i>,<i>i</i>]-1,2,3,6,7,8-hexahydro-1,3-dioxecin
• Chemical name: 8,16-dibromo-2,4-dioxatricyclo[12.4.0.0^5,10^]octadeca-5,7,9,14,16,18-hexaene
• Formula: C16 H14 Br2 O2
• Calculated formula: C16 H14 Br2 O2
• SMILES: Brc1cc2CCCc3c(ccc(Br)c3)OCOc2cc1
• Title of publication: Two similar dibenzo cyclic ethers with dissimilar conformations
• Authors of publication: Burns, Dennis H.; Meece, F. Alex; Moore, Curtis E.; Eichhorn, David M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o27 - o30
• a: 21.3204 ± 0.0005 Å
• b: 8.8456 ± 0.0002 Å
• c: 7.8155 ± 0.0002 Å
• α: 90°
• β: 97.969 ± 0.001°
• γ: 90°
• Cell volume: 1459.71 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes