Information card for entry 7135231

Structure parameters

• Formula: C42 H32 N4 O4
• Calculated formula: C42 H32 N4 O4
• Title of publication: Divergent synthesis of polycyclic (aza)fluorenes <i>via</i> condition-controlled tandem reaction of <i>ortho</i>-hydroxyphenyl-substituted indene-dienes.
• Authors of publication: Zhang, Yin-Fu; Zhang, Shuqi; Zhao, Yan; Xu, Jiying; Wang, Xiao-Qing; Han, Qiu-Xia; Zhang, Chuan-Bao; Zhao, Lili; Fu, Ji-Ya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• a: 12.5542 ± 0.0006 Å
• b: 14.0614 ± 0.0007 Å
• c: 18.8278 ± 0.001 Å
• α: 90°
• β: 96.095 ± 0.002°
• γ: 90°
• Cell volume: 3304.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No