Information card for entry 8100795

Structure parameters

• Formula: C20 H28 O5
• Calculated formula: C20 H28 O5
• SMILES: C1(=O)CC[C@@]([C@H]2C[C@@H]([C@]34[C@H]([C@]12C)[C@@H](C[C@H](C3)C(=C)C4)O)O)(C)C(=O)O
• Title of publication: Crystal structure of ent-(7β,11α)-dihydroxy-1-oxo-kaur-16-en-19-oic acid, C~20~H~28~O~5~
• Authors of publication: Punnapayak, H.; Pechwang, J.; Chaichit, N.; Jaiboon, N.; Pornpakakul, S.; Petsom, A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 603 - 604
• a: 7.8782 ± 0.0001 Å
• b: 14.2772 ± 0.0002 Å
• c: 15.7818 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1775.12 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No