Information card for entry 2228013

Structure parameters

• Chemical name: <i>syn</i>-Dispiro[1,3-dioxolane-2,17'-pentacyclo [12.2.1.1^6,9^.0^2,13^.0^5,\10^]octadecane-18',2''-[1,3]dioxolane]-7',15'-diene
• Formula: C22 H28 O4
• Calculated formula: C22 H28 O4
• SMILES: O1C2(OCC1)[C@H]1[C@H]3[C@H](CC[C@@H]4[C@H](CC3)[C@@H]3C=C[C@H]4C43OCCO4)[C@@H]2C=C1
• Title of publication: <i>syn</i>-Dispiro[1,3-dioxolane-2,17'-pentacyclo[12.2.1.1^6,9^.0^2,13^.0^5,10^]octadecane-18',2''-[1,3]dioxolane]-7',15'-diene
• Authors of publication: Kachlan, Rulla M.; Ruble, Macey C.; Timmerman, Jacob C.; Etzkorn, Markus; Jones, Daniel S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2880
• a: 11.4167 ± 0.0011 Å
• b: 6.7354 ± 0.0007 Å
• c: 24.185 ± 0.002 Å
• α: 90°
• β: 103.521 ± 0.009°
• γ: 90°
• Cell volume: 1808.2 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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 significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes