Information card for entry 1516565

Structure parameters

• Formula: C52 H70 N O4 P
• Calculated formula: C52 H70 N O4 P
• SMILES: P1(OC(c2cc(CC)cc(c2)CC)([C@@H]2OC(O[C@H]2C(O1)(c1cc(CC)cc(c1)CC)c1cc(cc(CC)c1)CC)(C)C)c1cc(cc(c1)CC)CC)N1CCCCC1
• Title of publication: Catalytic enantioselective synthesis of 2-aryl-chromenes
• Authors of publication: Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2277
• a: 13.3371 ± 0.0004 Å
• b: 19.9237 ± 0.0006 Å
• c: 34.7236 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9226.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.96 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No