Information card for entry 1567899

Structure parameters

• Formula: C30 H23 N O2
• Calculated formula: C30 H23 N O2
• Title of publication: An expeditious FeCl3-catalyzed cascade 1,4-conjugate addition/annulation/1,5-H shift sequence for modular access of all-pyrano-moiety-substituted chromenes
• Authors of publication: He, Xinwei; Li, Ruxue; Choy, Pui Ying; Duan, Jiahui; Yin, Zhenzhen; Xu, Keke; Tang, Qiang; Zhong, RongLin; Shang, Yongjia; Kwong, Fuk Yee
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 4.8767 ± 0.0003 Å
• b: 9.4727 ± 0.0007 Å
• c: 24.3972 ± 0.0019 Å
• α: 89.426 ± 0.003°
• β: 89.496 ± 0.003°
• γ: 77.542 ± 0.003°
• Cell volume: 1100.42 ± 0.14 ų
• Cell temperature: 300.01 K
• Ambient diffraction temperature: 300.01 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: 0.1128
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No