Information card for entry 8100609

Structure parameters

• Formula: C21 H24 O4
• Calculated formula: C21 H24 O4
• SMILES: O=C(OC)[C@@]12[C@@H]3C=C[C@H]([C@]2([C@H]2[C@@H]1[C@@H]1C=C[C@H]2C1)C(=O)OC)C3=C(C)C
• Title of publication: Crystal structure of dimethyl (1α,2β,3α,4β,7β,8α,9β,10α)-13- isopropylidene-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~
• Authors of publication: Russell, R. A.; Schultz, A. C.; 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: 211 - 212
• a: 9.547 ± 0.002 Å
• b: 19.014 ± 0.003 Å
• c: 9.877 ± 0.002 Å
• α: 90°
• β: 91.42 ± 0.02°
• γ: 90°
• Cell volume: 1792.4 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No