Information card for entry 7124222

Structure parameters

• Formula: C33 H31 F2 N3 O
• Calculated formula: C33 H31 F2 N3 O
• Title of publication: Highly efficient cyclotrimerization of isocyanates by N- Heterocyclic Olefins under bulk condition
• Authors of publication: Li, Chengkai; Zhao, Wuchao; He, Jianghua; Zhang, Yuetao
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.2304 ± 0.0011 Å
• b: 10.8156 ± 0.0011 Å
• c: 13.0482 ± 0.0014 Å
• α: 84.556 ± 0.002°
• β: 73.203 ± 0.002°
• γ: 88.712 ± 0.002°
• Cell volume: 1375.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No