Information card for entry 2200165

Structure parameters

• Common name: bis Dioxane
• Chemical name: (-)-(4R,5R,4''R,5''R)-4,5,4'',5''-Tetramethyldispiro[1,3-dioxalane- 2,1'(2'H)-acenaphthylene-2',2''-1,3-dioxalane]
• Formula: C20 H22 O4
• Calculated formula: C20 H22 O4
• SMILES: O1C2(O[C@@H]([C@H]1C)C)c1c3c(cccc3ccc1)C12O[C@@H]([C@H](O1)C)C
• Title of publication: A novel chiral <i>C</i>~2~ axially symmetric acenaphthoquinone diketal
• Authors of publication: Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o366 - o367
• a: 9.799 ± 0.003 Å
• b: 19.331 ± 0.005 Å
• c: 9.054 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1715 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes