Information card for entry 1573824

Structure parameters

• Formula: C46 H36 N2
• Calculated formula: C46 H36 N2
• Title of publication: Synthesis of the 3,3'-bipyrrole scaffold from diyne.
• Authors of publication: Zhang, Wentao; Wang, Luyao; Zhou, Yufeng; Chen, Zhifang; Xiong, Heng-Ying; Zhang, Guangwu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 10
• Pages of publication: 2463 - 2466
• a: 16.6526 ± 0.0004 Å
• b: 5.8534 ± 0.0001 Å
• c: 18.1057 ± 0.0005 Å
• α: 90°
• β: 109.461 ± 0.003°
• γ: 90°
• Cell volume: 1664.01 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0691
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No