Information card for entry 2218400

Structure parameters

• Chemical name: <i>cis</i>-9,10-Bis(bromomethyl)-1,4,5,8-tetraoxadecalin
• Formula: C8 H12 Br2 O4
• Calculated formula: C8 H12 Br2 O4
• SMILES: BrC[C@]12OCCO[C@]2(CBr)OCCO1
• Title of publication: <i>cis</i>-9,10-Bis(bromomethyl)-1,4,5,8-tetraoxadecalin
• Authors of publication: Yambo, Courtney L.; Williams, Patrick S.; Au, David J.; Jones, Daniel S.; Etzkorn, Markus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1172
• a: 8.5314 ± 0.0014 Å
• b: 9.5295 ± 0.0007 Å
• c: 13.1348 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1067.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P n c a
• Hall space group symbol: -P 2a 2n
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes