Information card for entry 7159582

Structure parameters

• Formula: C36 H36 N4
• Calculated formula: C36 H36 N4
• Title of publication: Organic photoredox catalyzed C(sp³)-H functionalization of saturated aza-heterocycles <i>via</i> a cross-dehydrogenative coupling reaction.
• Authors of publication: Zhang, Yi-Fan; Chen, Han-Nan; Xiao, Yi; Cui, Zhencun; Wang, Wei David; Xu, Guo-Qiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 41
• Pages of publication: 8284 - 8288
• a: 13.9327 ± 0.0003 Å
• b: 11.0108 ± 0.0003 Å
• c: 19.2787 ± 0.0004 Å
• α: 90°
• β: 103.663 ± 0.002°
• γ: 90°
• Cell volume: 2873.86 ± 0.12 ų
• Cell temperature: 300.89 ± 0.1 K
• Ambient diffraction temperature: 300.89 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No