Information card for entry 2240417

Structure parameters

• Chemical name: 3,9-Bis(2,6-difluorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
• Formula: C19 H16 F4 O4
• Calculated formula: C19 H16 F4 O4
• SMILES: C12(COC(c3c(cccc3F)F)OC1)COC(OC2)c1c(cccc1F)F
• Title of publication: Crystal structure of <i>rac</i>-3,9-bis(2,6-difluorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
• Authors of publication: Chen, Liang; Li, Zhengyi; Jin, Linlin; Sun, Xiaoqiang; Wang, Zhiming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o127 - o128
• a: 28.96 ± 0.005 Å
• b: 5.5627 ± 0.0011 Å
• c: 11.205 ± 0.002 Å
• α: 90°
• β: 95.442 ± 0.004°
• γ: 90°
• Cell volume: 1796.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0554
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes