Information card for entry 8100124

Structure parameters

• Formula: C21 H34 O4
• Calculated formula: C21 H34 O4
• SMILES: O[C@@H]([C@@H]1C[C@]23[C@H]([C@@]4(C)[C@H](CC2)[C@](C(=O)O)(CCC4)C)CC[C@@H]1C3)OC
• Title of publication: Crystal structure of ent-(16R,17R)-17-hydroxy-17-methoxykauran-19- oic acid, C~21~H~34~O~4~
• Authors of publication: Nascimento, M. C. B. S.; Santos, G. L.; Malta, V. R. S.; De Simone, C. A.; Pereira, M. A.; Conserva, L. M.; Anselmo, A. M.; Braz-Filho, R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 285 - 286
• a: 8.4324 ± 0.0002 Å
• b: 10.7639 ± 0.0002 Å
• c: 21.1593 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1920.53 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction 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