Information card for entry 2228557

Structure parameters

• Chemical name: 3,9-Di-<i>tert</i>-butyl-2,4,8,10-tetraoxaspiro[5.5]undecane
• Formula: C15 H28 O4
• Calculated formula: C15 H28 O4
• SMILES: CC(C1OCC2(CO1)COC(OC2)C(C)(C)C)(C)C
• Title of publication: 3,9-Di-<i>tert</i>-butyl-2,4,8,10-tetraoxaspiro[5.5]undecane
• Authors of publication: Li, Zhengyi; Chen, Liang; Tang, Qiuzheng; Sun, Xiaoqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3368
• a: 26.726 ± 0.004 Å
• b: 5.7894 ± 0.0008 Å
• c: 11.2635 ± 0.0015 Å
• α: 90°
• β: 113.846 ± 0.004°
• γ: 90°
• Cell volume: 1594 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes