Information card for entry 4100402

Structure parameters

• Formula: C18 H28 O4
• Calculated formula: C18 H28 O4
• SMILES: C1(C[C@@H]1[C@H](CC)OC(=O)[C@]12CC[C@@](C(=O)O2)(C1(C)C)C)(C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 6.448 ± 0.001 Å
• b: 20.322 ± 0.003 Å
• c: 6.7818 ± 0.001 Å
• α: 90°
• β: 102.779 ± 0.004°
• γ: 90°
• Cell volume: 866.7 ± 0.2 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No