Information card for entry 2226960

Structure parameters

• Chemical name: <i>anti</i>-1',6',7',8',9',14',15',16'-Octachlorodispiro[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 H20 Cl8 O4
• Calculated formula: C22 H20 Cl8 O4
• SMILES: ClC1=C(Cl)[C@@]2(C3([C@@]1(Cl)[C@H]1[C@@H]2CC[C@H]2[C@@H](CC1)[C@@]1(Cl)C(=C([C@@]2(C21OCCO2)Cl)Cl)Cl)OCCO3)Cl
• Title of publication: <i>anti</i>-1',6',7',8',9',14',15',16'-Octachlorodispiro[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: Tenbusch, Megan E.; Brooker, Matthew D.; Timmerman, Jacob C.; Jones, Daniel S.; Etzkorn, Markus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1882
• a: 9.5332 ± 0.0007 Å
• b: 7.9121 ± 0.0006 Å
• c: 17.014 ± 0.002 Å
• α: 90°
• β: 101.099 ± 0.008°
• γ: 90°
• Cell volume: 1259.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes