Information card for entry 4514622

Structure parameters

• Formula: C44 H57 F6 N5 O6
• Calculated formula: C44 H57 F6 N5 O6
• Title of publication: Synthesis of 2H-Chromenes via Hydrazine-Catalyzed Ring-Closing Carbonyl-Olefin Metathesis
• Authors of publication: Zhang, Yunfei; Jermaks, Janis; MacMillan, Samantha N.; Lambert, Tristan H.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 9259
• a: 17.95158 ± 0.00009 Å
• b: 10.14969 ± 0.00005 Å
• c: 23.05206 ± 0.00013 Å
• α: 90°
• β: 98.418 ± 0.0005°
• γ: 90°
• Cell volume: 4154.9 ± 0.04 ų
• Cell temperature: 99.96 ± 0.1 K
• Ambient diffraction temperature: 99.96 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No