Information card for entry 1552976

Structure parameters

• Formula: C28 H27 N O
• Calculated formula: C28 H27 N O
• SMILES: O=C1N2CC(c3ccccc3)(c3ccccc3)CC[C@@H]2C/C1=C/c1ccc(cc1)C
• Title of publication: Highly enantioselective oxidative tandem cyclization reaction: a chiral ligand and an anion cooperatively control stereoselectivity
• Authors of publication: He, Yu-Ping; Wu, Hua; Xu, Lue; Su, Yong-Liang; Gong, Liu-Zhu
• Journal of publication: Org. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 5
• Pages of publication: 473
• a: 10.1946 ± 0.0001 Å
• b: 10.6368 ± 0.0001 Å
• c: 19.8674 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2154.38 ± 0.03 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.0291
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No