Information card for entry 1505549

Structure parameters

• Formula: C35 H54 O6
• Calculated formula: C35 H54 O6
• SMILES: [C@@H]1(OCc2ccccc2)C[C@H]([C@@H](C[C@H]1O)C(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C)C(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C
• Title of publication: Quinine synthesis studies: a radical-ionic annulation via Mn-mediated addition to chiral N-acylhydrazones.
• Authors of publication: Korapala, Chandra Sekhar; Qin, Jun; Friestad, Gregory K.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 4243 - 4246
• a: 11.5379 ± 0.0013 Å
• b: 10.6801 ± 0.0012 Å
• c: 13.8158 ± 0.0015 Å
• α: 90°
• β: 100.801 ± 0.005°
• γ: 90°
• Cell volume: 1672.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No