Information card for entry 7160682

Structure parameters

• Formula: C17 H22 O4
• Calculated formula: C17 H22 O4
• Title of publication: Protecting-group-free total syntheses of (-)-integrifolin, (+)-8-<i>epi</i>-grosheimin and (+)-grosheimin.
• Authors of publication: Fernandes, Rodney A.; Gorve, Dnyaneshwar A.; Ramakrishna, Gujjula V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 35
• Pages of publication: 8059 - 8062
• a: 5.9109 ± 0.0002 Å
• b: 15.2939 ± 0.0007 Å
• c: 17.239 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1558.42 ± 0.13 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.115
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No