Information card for entry 1508858

Structure parameters

• Formula: C28 H25 N O4
• Calculated formula: C28 H25 N O4
• SMILES: N([C@@H]1C[C@]2(OCc3c2cccc3)Oc2c1c1c(cc2)cccc1)c1cc(OC)cc(OC)c1
• Title of publication: Direct Access to Enantioenriched Spiroacetals through Asymmetric Relay Catalytic Three-Component Reaction.
• Authors of publication: Wu, Hua; He, Yu-Ping; Gong, Liu-Zhu
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 460 - 463
• a: 12.652 ± 0.002 Å
• b: 5.3373 ± 0.0009 Å
• c: 17.942 ± 0.003 Å
• α: 90°
• β: 109.082 ± 0.003°
• γ: 90°
• Cell volume: 1145 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No