Information card for entry 7155951

Structure parameters

• Formula: C32 H27 N O
• Calculated formula: C32 H27 N O
• SMILES: N1(C(=O)C(c2cccc(c12)C(=C1CC1)c1ccccc1)(Cc1ccccc1)c1ccccc1)C
• Title of publication: Copper(I)-catalyzed carbocyclization of acrylamide-tethered alkylidenecyclopropanes with diaryliodonium salts
• Authors of publication: Shi, Min; Wei, Yin; Zhang, Xiao-Yu
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 9.1032 ± 0.0015 Å
• b: 14.843 ± 0.002 Å
• c: 19.069 ± 0.003 Å
• α: 94.1 ± 0.004°
• β: 101.55 ± 0.004°
• γ: 104.178 ± 0.003°
• Cell volume: 2427.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No