Information card for entry 8100608

Structure parameters

• Formula: C21 H24 O4 S2
• Calculated formula: C21 H24 O4 S2
• SMILES: S(C(=C\1[C@@H]2[C@]3(C(=O)OC)[C@H]4[C@@H]5C=C[C@H]([C@H]4[C@]3(C(=O)OC)[C@H]1C=C2)C5)\SC)C
• Title of publication: Crystal structure of dimethyl (1α,2β,3α,4β,7β,8α,9β,10α)-13-di (methylthio)methylidene-pentacyclo[8.2.1.1^4,7^.0^2,9^.0^3,8^]tetradeca-5,11- diene-2,9-dicarboxylate, C~21~H~24~O~4~S~2~
• Authors of publication: Palmer, C.; Russell, R. A.; Warrener, R. N.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 2
• Pages of publication: 209 - 210
• a: 10.962 ± 0.003 Å
• b: 12.797 ± 0.002 Å
• c: 15.189 ± 0.004 Å
• α: 90°
• β: 110.14 ± 0.02°
• γ: 90°
• Cell volume: 2000.4 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No