Information card for entry 2233536

Structure parameters

• Common name: <i>ent</i>-15<i>S</i>-prima-8(14)-ene-15,16-diol Ceriotagalsin L
• Chemical name: (<i>S</i>)-1-[(2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-2,4b,8,8-tetramethyl- 2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl]ethane-1,2-diol
• Formula: C20 H34 O2
• Calculated formula: C20 H34 O2
• SMILES: O[C@@H]([C@@]1(C=C2CC[C@@H]3C(CCC[C@]3([C@@H]2CC1)C)(C)C)C)CO
• Title of publication: <i>ent</i>-(15<i>S</i>)-Pimar-8(14)-ene-15,16-diol
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Pakhathirathien, Charoen; Karalai, Chatchanok; Chantrapromma, Kan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o520 - o521
• a: 11.5129 ± 0.0002 Å
• b: 7.0934 ± 0.0001 Å
• c: 22.3946 ± 0.0004 Å
• α: 90°
• β: 96.75 ± 0.001°
• γ: 90°
• Cell volume: 1816.19 ± 0.05 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes