Information card for entry 1552624

Structure parameters

• Formula: C30 H34 O4
• Calculated formula: C30 H34 O4
• SMILES: Oc1c(c2O[C@@]3(C[C@@H]4c2c(OC([C@@H]4CC3)(C)C)c1CC=C(C)C)C)C(=O)/C=C/c1ccccc1
• Title of publication: Mallopenins A-E, Antibacterial Phenolic Derivatives from the Fruits of <i>Mallotus philippensis</i>.
• Authors of publication: Cheenpracha, Sarot; Pyne, Stephen G.; Patrick, Brian O.; Andersen, Raymond J.; Maneerat, Wisanu; Laphookhieo, Surat
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 8
• Pages of publication: 2174 - 2180
• a: 7.8303 ± 0.0002 Å
• b: 10.9599 ± 0.0002 Å
• c: 28.0066 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2403.51 ± 0.09 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No