Information card for entry 7104173

Structure parameters

• Formula: C23 H30 O6
• Calculated formula: C23 H30 O6
• SMILES: C1(=O)C2=C([C@H]3C=C[C@]2(CC[C@@]2([C@H]4CCC[C@H]4CC[C@H]12)OCOC)O3)C(=O)OCC.C1(=O)C2=C([C@@H]3C=C[C@@]2(CC[C@]2([C@@H]4CCC[C@@H]4CC[C@@H]12)OCOC)O3)C(=O)OCC
• Title of publication: A model study for the concise construction of the oxapentacyclic core of cortistatins through intramolecular Diels‒Alder and oxidative dearomatization‒cyclization reactions
• Authors of publication: Liu, Lianzhu; Gao, Yingxiang; Che, Chao; Wu, Na; Wang, David Zhigang; Li, Chuang-Chuang; Yang, Zhen
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 662 - 664
• a: 10.306 ± 0.002 Å
• b: 11.417 ± 0.002 Å
• c: 11.436 ± 0.002 Å
• α: 105.05 ± 0.03°
• β: 111.6 ± 0.03°
• γ: 110.32 ± 0.03°
• Cell volume: 1051 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No