Information card for entry 7235513

Structure parameters

• Common name: Flickinflimbric acid
• Formula: C19 H30 O4.5
• Calculated formula: C19 H29 O4.5
• SMILES: [C@@]12([C@@H](C(C)([C@@H](O)[C@H](C1)O)C)CCC1=C[C@@](C(=O)O)(CC[C@@H]21)C)C.O
• Title of publication: Bioactive norditerpenoids from Flickingeria fimbriata
• Authors of publication: Chen, Jin-Long; Zhao, Zhi-Min; Xue, Xue; Tang, Gui-Hua; Zhu, Long-Ping; Yang, De-Po; Jiang, Lin
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 28
• Pages of publication: 14447
• a: 22.0224 ± 0.0003 Å
• b: 10.2959 ± 0.0001 Å
• c: 7.9117 ± 0.0001 Å
• α: 90°
• β: 98.26 ± 0.001°
• γ: 90°
• Cell volume: 1775.29 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No