Information card for entry 7102941

Structure parameters

• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: O1C(=O)[C@H]2CC[C@@]3([C@@H]4C(=O)C=C([C@H](O)[C@@H]4CC=C3[C@H]2C1)C(C)C)C
• Title of publication: Formal total synthesis of triptolide.
• Authors of publication: Miller, Natalie A; Willis, Anthony C; Sherburn, Michael S
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 10
• Pages of publication: 1226 - 1228
• a: 6.8313 ± 0.0001 Å
• b: 10.1677 ± 0.0002 Å
• c: 25.1585 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1747.47 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.041
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for all reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0504
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No