Information card for entry 7050959

Structure parameters

• Chemical name: 2,2'-Dimethyl-2,2'-bi-1,3-dioxolanyl
• Formula: C8 H14 O4
• Calculated formula: C8 H14 O4
• SMILES: CC1(OCCO1)C1(C)OCCO1
• Title of publication: Gauche/trans equilibria of 2,2'-bi-1,3-dioxolanyl, 2,2'-dimethyl-2,2'-bi-1,3-dioxolanyl, 2,2'-bi-1,3-dithiolanyl and 2,2'-dimethyl-2,2'-bi-1,3-dithiolanyl in different media–theory and experiment
• Authors of publication: Chen, Wang; Lam, Yu-Lin; Wong, Ming Wah; Huang, Hsing Hua; Liang, Eping
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 1686 - 1692
• a: 5.687 ± 0.0009 Å
• b: 11.0509 ± 0.0017 Å
• c: 6.8521 ± 0.0011 Å
• α: 90°
• β: 102.624 ± 0.003°
• γ: 90°
• Cell volume: 420.22 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No