Information card for entry 7123595

Structure parameters

• Formula: C24 H19.9 N O0.45
• Calculated formula: C24 H19.9 N O0.45
• 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: 9.2367 ± 0.0004 Å
• b: 10.2565 ± 0.0005 Å
• c: 11.0747 ± 0.0006 Å
• α: 104.851 ± 0.0017°
• β: 109.513 ± 0.0015°
• γ: 108.199 ± 0.0015°
• Cell volume: 859.89 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No