Information card for entry 2001784

Structure parameters

• Formula: C21 H34 O4
• Calculated formula: C21 H34 O4
• SMILES: C1CC[C@@]([C@H]2CC[C@]34[C@H]([C@]12C)CC[C@](C3)(C(=C)C4)O)(C)C(=O)O.OC
• Title of publication: Structure of (4α)-13-hydroxykaur-16-en-18-oic acid (steviol) methanol solvate
• Authors of publication: Dias Rodrigues, A. M. G.; de Almeida Santos, R. H.; Lechat, J. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 729 - 731
• a: 7.407 ± 0.002 Å
• b: 14.442 ± 0.003 Å
• c: 17.696 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1893 ± 0.7 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No