Information card for entry 2200164

Structure parameters

• Common name: bis Ketal
• Chemical name: (-)-(4R,5R,4'''R,5'''R)-Dispiro[1,3-(4,5-dimethyl)- dioxalane-2,3'-[1',5'-(1'',8''-naphthalene)]- bicyclo[3.3.0]octane-7',2'''-[1,3]- (4''',5'''-dimethyl)-dioxalane]
• Formula: C26 H30 O4
• Calculated formula: C26 H30 O4
• SMILES: O1C2(O[C@@H]([C@H]1C)C)CC13c4c5c(ccc4)cccc5C1(C2)CC1(O[C@@H]([C@H](O1)C)C)C3
• Title of publication: A chiral <i>C</i>~2~ axially symmetric naphthalene derivative of a bicyclooctane 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: o346 - o348
• a: 8.1172 ± 0.0011 Å
• b: 22.523 ± 0.004 Å
• c: 12.5352 ± 0.0013 Å
• α: 90°
• β: 105.362 ± 0.012°
• γ: 90°
• Cell volume: 2209.9 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.151
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes