Information card for entry 7245393

Structure parameters

• Formula: C17 H15 N O2
• Calculated formula: C17 H15 N O2
• Title of publication: Recyclable rhodium-catalyzed C–H activation/[4 + 2] annulation with unconventional regioselectivity at ambient temperature: experimental development and mechanistic insight
• Authors of publication: Meng, Haifang; Xu, Huiying; Zhou, Zhi; Tang, Zhenhao; Li, Yidi; Zhou, Yu; Yi, Wei; Wu, Xiaowei
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 7012 - 7021
• a: 6.9187 ± 0.001 Å
• b: 12.6378 ± 0.0019 Å
• c: 14.994 ± 0.002 Å
• α: 90°
• β: 96.541 ± 0.005°
• γ: 90°
• Cell volume: 1302.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No