Information card for entry 2210597

Structure parameters

• Chemical name: 2-[5-(Hydroxy-1-methylethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-ol
• Formula: C11 H22 O4
• Calculated formula: C11 H22 O4
• SMILES: C(O)(C)(C)[C@@H]1OC(C)(C)O[C@H]1C(C)(C)O
• Title of publication: (4<i>R</i>,5<i>R</i>)-Bis(hydroxydimethylmethyl)-2,2-dimethyl-1,3-dioxolane
• Authors of publication: Grant A. Boyle; Hendrik G. Kruger; Glenn E. M. Maguire; Melanie Rademeyer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4339 - o4341
• a: 11.521 ± 0.003 Å
• b: 9.072 ± 0.004 Å
• c: 12.535 ± 0.003 Å
• α: 90°
• β: 108.24 ± 0.02°
• γ: 90°
• Cell volume: 1244.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes