Information card for entry 7156289

Structure parameters

• Formula: C14 H14 O4
• Calculated formula: C15 H14 O4
• Title of publication: Total synthesis and structural revision of (±)-nidemone.
• Authors of publication: Hsu, Day-Shin; Liou, Chang-Yan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 4990 - 4995
• a: 10.287 ± 0.002 Å
• b: 11.291 ± 0.002 Å
• c: 20.866 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2423.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No