Information card for entry 4038844

Structure parameters

• Formula: C21 H24 N2 O2
• Calculated formula: C21 H24 N2 O2
• Title of publication: Ru(II)-catalyzed tunable cascade reaction via C-H/C-C bond cleavage.
• Authors of publication: Yang, Zi; Yue, Qi; Yang, Mengqi; Zhang, Hong; Cui, Xiuling
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.7033 ± 0.0006 Å
• b: 10.3399 ± 0.001 Å
• c: 11.7859 ± 0.0011 Å
• α: 113.729 ± 0.009°
• β: 92.491 ± 0.006°
• γ: 101.392 ± 0.007°
• Cell volume: 942.86 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No