Information card for entry 2242417

Structure parameters

• Common name: 4,5'-Diallyl-2,2',3'-trimethoxydiphenyl ether
• Chemical name: 1,2-Dimethoxy-3-[3-methoxy-5-(prop-2-en-1-yl)phenoxy]-5-(prop-2-en-1-yl)benzene
• Formula: C21 H24 O4
• Calculated formula: C21 H24 O4
• SMILES: c1(c(cc(cc1Oc1c(cc(cc1)CC=C)OC)CC=C)OC)OC
• Title of publication: Crystal structure of Dehydrodieugenol B methyl ether, a neolignan from <i>Nectandra leucantha</i> Nees and Mart (Lauraceae)
• Authors of publication: Grecco, Simone S.; Jerz, Gerold; Lago, Joao Henrique G.; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 4
• Pages of publication: 518 - 521
• a: 12.4644 ± 0.0004 Å
• b: 18.1145 ± 0.0004 Å
• c: 8.272 ± 0.0003 Å
• α: 90°
• β: 105.835 ± 0.003°
• γ: 90°
• Cell volume: 1796.83 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes