Information card for entry 1545939

Structure parameters

• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• SMILES: O1c2cc(ccc2OC)CCC(=O)CCCCc2cc(c1cc2)N
• Title of publication: Asymmetric Synthesis of (-)-Pterocarine and (-)-Galeon via Chiral Phase Transfer-Catalyzed Atropselective Formation of Diarylether Cyclophane Skeleton.
• Authors of publication: Ding, Qiang; Wang, Qiuyan; He, Huan; Cai, Qian
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1804 - 1807
• a: 8.69815 ± 0.00008 Å
• b: 8.99657 ± 0.00008 Å
• c: 11.2368 ± 0.00011 Å
• α: 90°
• β: 99.4584 ± 0.0009°
• γ: 90°
• Cell volume: 867.365 ± 0.014 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: 0.0364
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No