Information card for entry 1508722

Structure parameters

• Formula: C19 H24 O4
• Calculated formula: C19 H24 O4
• SMILES: c12ccccc1[C@]13[C@@H](CC([C@H]1[C@@H](CC(=O)OCC)OC3)(C)C)O2.c12ccccc1[C@@]13[C@H](CC([C@@H]1[C@H](CC(=O)OCC)OC3)(C)C)O2
• Title of publication: Stereoselective synthesis of oxa- and aza-angular triquinanes using tandem radical cyclization to vinylogous carbonates and carbamates.
• Authors of publication: Gharpure, Santosh J.; Niranjana, P.; Porwal, Suheel K.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5476 - 5479
• a: 10.086 ± 0.005 Å
• b: 13.642 ± 0.005 Å
• c: 12.796 ± 0.005 Å
• α: 90 ± 0.005°
• β: 108.816 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1666.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No