Information card for entry 4104305

Structure parameters

• Formula: C18 H26 O3
• Calculated formula: C18 H26 O3
• SMILES: O1[C@H]2CC[C@@]3(C4(OCCO4)CCC[C@H]3[C@]2(C)C[C@H]1C#C)C
• Title of publication: Stereoselective Synthesis and Osteogenic Activity of Subglutinols A and B
• Authors of publication: Hyoungsu Kim; Joseph B. Baker; Su-Ui Lee; Yongho Park; Kyle L. Bolduc; Hyung-Bae Park; Marina G. Dickens; Dong-Sup Lee; Yongchul Kim; Seong Hwan Kim; Jiyong Hong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3192 - 3194
• a: 8.1782 ± 0.0003 Å
• b: 11.0055 ± 0.0004 Å
• c: 17.9809 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1618.37 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0582
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No