Information card for entry 1529458

Structure parameters

• Formula: C29 H32 O5
• Calculated formula: C29 H32 O5
• SMILES: c1(=O)cc(c2c(C(=C(C(C)C)\O)\C(=O)C(C2=O)(CC=C(C)C)CC=C(C)C)o1)c1ccccc1
• Title of publication: Lepidotol A from Mesua lepidota Inhibits Inflammatory and Immune Mediators in Human Endothelial Cells.
• Authors of publication: Rouger, Caroline; Derbré, Séverine; Charreau, Béatrice; Pabois, Angélique; Cauchy, Thomas; Litaudon, Marc; Awang, Khalijah; Richomme, Pascal
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 9
• Pages of publication: 2187 - 2197
• a: 24.274 ± 0.002 Å
• b: 16.262 ± 0.001 Å
• c: 12.626 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4984 ± 0.9 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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: 0.1791
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No