Information card for entry 2222235

Structure parameters

• Common name: 1,4-Cyclohexanedione bis(2,2-dimethyltrimethylene ketal)
• Chemical name: 3,3,12,12-Tetramethyl-1,5,10,14-tetraoxadispiro[5.2.5.2]hexadecane
• Formula: C16 H28 O4
• Calculated formula: C16 H28 O4
• SMILES: CC1(C)COC2(OC1)CCC1(CC2)OCC(CO1)(C)C
• Title of publication: 3,3,12,12-Tetramethyl-1,5,10,14-tetraoxadispiro[5.2.5.2]hexadecane
• Authors of publication: He, Yong-Jun; Xie, Min-Hao; Zou, Pei; Liu, Ya-Ling; Wu, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1559
• a: 12.639 ± 0.008 Å
• b: 5.838 ± 0.004 Å
• c: 11.179 ± 0.007 Å
• α: 90°
• β: 110.611 ± 0.008°
• γ: 90°
• Cell volume: 772.1 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes