Information card for entry 2211343

Structure parameters

• Common name: 3,19-(2,6-dimethoxybenzyledine)andrographolide
• Chemical name: (E)-3-{2-[3-(2,6-dimethoxyphenyl)-6a,10b-dimethyl-8-methylene-decahydro- 1H-naphtho[2,1-d][1,3]dioxin-7-yl]ethylidene}-4-hydroxy-4,5-dihydrofuran- 2(3H)-one
• Formula: C29 H38 O7
• Calculated formula: C29 H38 O7
• SMILES: O1C[C@@]2([C@@H]3CCC(=C)[C@@H]([C@]3(CC[C@@H]2O[C@H]1c1c(OC)cccc1OC)C)C/C=C/1[C@@H](O)COC1=O)C
• Title of publication: 3,19-(2,6-Dimethoxybenzylidene)andrographolide
• Authors of publication: Sreenivasa Rao Sagineedu; Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; Nordin Hj Lajis; Johnson Stanslas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5806 - o5808
• a: 6.5021 ± 0.0001 Å
• b: 12.9728 ± 0.0002 Å
• c: 29.5163 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2489.71 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes