Information card for entry 1512085

Structure parameters

• Formula: C37 H30 N2 O2 S
• Calculated formula: C37 H30 N2 O2 S
• SMILES: S(=O)(=O)(/N=C1/N2[C@@]([C@@H]1c1ccccc1)(c1ccccc1)C=C(c1ccccc1C2)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(/N=C1/N2[C@]([C@H]1c1ccccc1)(c1ccccc1)C=C(c1ccccc1C2)c1ccccc1)c1ccc(cc1)C
• Title of publication: Parallel Copper Catalysis: Diastereoselective Synthesis of Polyfunctionalized Azetidin-2-imines.
• Authors of publication: Xing, Yanpeng; Zhao, Hongyang; Shang, Qiongyi; Wang, Jing; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2668 - 2671
• a: 11.6466 ± 0.0009 Å
• b: 11.9984 ± 0.0009 Å
• c: 12.9367 ± 0.0012 Å
• α: 67.388 ± 0.008°
• β: 64.731 ± 0.008°
• γ: 85.073 ± 0.006°
• Cell volume: 1502.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No