Information card for entry 2226430

Structure parameters

• Chemical name: (1<i>R</i>,4a<i>R</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-1,4a,7-trimethyl-7- vinyl-1,2,3,4,4a,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylic acid
• Formula: C20 H30 O2
• Calculated formula: C20 H30 O2
• SMILES: C=C[C@@]1(C)CC=C2[C@H](C1)CC[C@H]1[C@@]2(C)CCC[C@@]1(C)C(=O)O
• Title of publication: Acanthoic acid
• Authors of publication: Suwancharoen, Sunisa; Tommeurd, Wantanee; Phurat, Chuttree; Muangsin, Nongnuj; Pornpakakul, Surachai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1531
• a: 12.8697 ± 0.0016 Å
• b: 12.8697 ± 0.0016 Å
• c: 21.768 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3605.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes