Information card for entry 7244483

Structure parameters

• Formula: C30 H31 N O3
• Calculated formula: C30 H31 N O3
• Title of publication: Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations
• Authors of publication: He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 2483 - 2491
• a: 8.224 ± 0.004 Å
• b: 14.043 ± 0.007 Å
• c: 21.164 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2444 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No