Information card for entry 2233717

Structure parameters

• Chemical name: (9-methoxy-3,5-dimethyl-5,6-dihydronaphtho[2,3-<i>b</i>]furan-4-yl)methyl 2-methylbut-2-enoate
• Formula: C21 H24 O4
• Calculated formula: C21 H24 O4
• SMILES: C/C=C(\C(=O)OCc1c2[C@@H](C)CC=Cc2c(c2c1c(C)co2)OC)C
• Title of publication: 14-Angeloyloxycacalohastine from <i>Psacalium peltatum</i>
• Authors of publication: Rojano-Vilchis, Nadia; Hernández-Ortega, Simón; Jimenez-Estrada, Manuel; Torres Avilez, Armando
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o672 - o673
• a: 7.1627 ± 0.0017 Å
• b: 10.276 ± 0.002 Å
• c: 24.605 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1811 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes