Information card for entry 7156190

Structure parameters

• Formula: C18 H22 O5
• Calculated formula: C18 H22 O5
• Title of publication: A concise total synthesis of cochlearoid B.
• Authors of publication: Zhang, Wuxia; Xiao, Dehai; Wang, Bo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3358 - 3361
• a: 13.248 ± 0.008 Å
• b: 11.319 ± 0.007 Å
• c: 21.558 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3233 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0916
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No