Information card for entry 8100038

Structure parameters

• Formula: C20 H28 O3
• Calculated formula: C20 H28 O3
• SMILES: C1CC=C([C@@]2(CC[C@H]([C@@]([C@@H]12)(CCc1ccoc1)C)C)C)C(=O)O
• Title of publication: Crystal structure of (‒)-hardwickiic acid, C~19~H~27~OCOOH
• Authors of publication: Chaichantipyuth, C.; Muangsin, N.; Chaichit, N.; Roengsumran, S.; Petsom, A.; Watanabe, T.; Ishikawa, T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 2
• Pages of publication: 111 - 113
• a: 10.0279 ± 0.0002 Å
• b: 11.1076 ± 0.0003 Å
• c: 17.0856 ± 0.0004 Å
• α: 90°
• β: 105.522 ± 0.001°
• γ: 90°
• Cell volume: 1833.68 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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