Information card for entry 4029279

Structure parameters

• Formula: C14 H14 O3
• Calculated formula: C14 H14 O3
• SMILES: O1C(=O)C2=CC3C[C@@]45C2(C1)[C@@]4(C[C@H]1O[C@H]1C5)C3
• Title of publication: Synthesis of the pentacylic core of (+)-salvileucalin B.
• Authors of publication: Taber, Douglass F; Paquette, Craig M
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 8
• Pages of publication: 3410 - 3413
• a: 9.44 ± 0.009 Å
• b: 9.863 ± 0.01 Å
• c: 11.214 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1044.1 ± 1.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1668
• Residual factor for significantly intense reflections: 0.1657
• Weighted residual factors for significantly intense reflections: 0.3563
• Weighted residual factors for all reflections included in the refinement: 0.3581
• Goodness-of-fit parameter for all reflections included in the refinement: 3.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No