Information card for entry 1553397

Structure parameters

• Formula: C30 H42 O4
• Calculated formula: C30 H42 O4
• SMILES: O1[C@@]2(O)C(=O)[C@]3(C(=O)[C@@]45[C@@]2([C@@H]([C@H]3C=C(C)C)C(=CC4)C)C[C@]21[C@@H](CC5)C(CCC2)(C)C)C(C)C
• Title of publication: Antiprotozoal Isoprenoids from Salvia hydrangea.
• Authors of publication: Tabefam, Marzieh; Moridi Farimani, Mahdi; Danton, Ombeline; Ramseyer, Justine; Nejad Ebrahimi, Samad; Neuburger, Markus; Kaiser, Marcel; Salehi, Peyman; Potterat, Olivier; Hamburger, Matthias
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 12
• Pages of publication: 2682 - 2691
• a: 9.209 ± 0.0001 Å
• b: 14.6102 ± 0.0002 Å
• c: 18.3937 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2474.79 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0255
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0291
• Weighted residual factors for all reflections included in the refinement: 0.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0761
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No