Information card for entry 2202509

Structure parameters

• Chemical name: 14β-hydroxy-3β-o-(L-thevetosyl)-5β-card-20(22)-enolide dichloroform solvate
• Formula: C32 H48 Cl6 O8
• Calculated formula: C32 H48 Cl6.001 O8
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.CO[C@H]1[C@H](O)[C@H](O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]2[C@@H]3CC[C@]3([C@]2(O)CC[C@@H]3C2=CC(=O)OC2)C)C)O[C@H]([C@@H]1O)C
• Title of publication: Absolute configuration of 14β-hydroxy-3β-<i>O</i>-(<small>L</small>-thevetosyl)-5β-card-20(22)-enolide chloroform disolvate
• Authors of publication: Saroj Cheenpracha; Suchada Chantrapromma; Chatchanok Karalai; Shazia Anjum; Kan Chantrapromma; Azhar Abdul Rahman; Xue-Mei Li; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1694 - o1696
• a: 7.6426 ± 0.0004 Å
• b: 9.1932 ± 0.0005 Å
• c: 54.362 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3819.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.113
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No