Information card for entry 7123597

Structure parameters

• Formula: C34 H26 N2
• Calculated formula: C34 H26 N2
• Title of publication: FeCl3 promoted ring size dictating diversity-oriented synthesis (DOS) of N-heterocycles using in situ generated cyclic imines and enamines
• Authors of publication: Dhandabani, Ganesh Kumar; Mutra, Mohana Reddy; Wang, Jeh-Jeng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 20.9893 ± 0.0008 Å
• b: 11.0183 ± 0.0004 Å
• c: 11.5218 ± 0.0004 Å
• α: 90°
• β: 97.8192 ± 0.0016°
• γ: 90°
• Cell volume: 2639.83 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No