Information card for entry 2200162

Structure parameters

• Common name: dihydroparthenolide diol
• Chemical name: 2,10-dihydroxy-1,6,10-trimethyl-4,14-dioxztricyclo[9.2.1.0^3,7^]tetradecan-5-one
• Formula: C15 H24 O5
• Calculated formula: C15 H24 O5
• SMILES: O1[C@@H]2[C@@H](O)[C@]3(O[C@H](CC3)[C@](O)(CC[C@H]2[C@@H](C1=O)C)C)C
• Title of publication: Dihydroparthenolide diol, a novel sesquiterpene lactone
• Authors of publication: Rugutt, Joseph K.; Fronczek, Frank R.; Franzblau, Scott G.; Warner, Isiah M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o323 - o325
• a: 9.2706 ± 0.0013 Å
• b: 10.4565 ± 0.0008 Å
• c: 15.094 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1463.2 ± 0.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes