Information card for entry 7160293

Structure parameters

• Formula: C39 H29 N O5
• Calculated formula: C39 H29 N O5
• Title of publication: Synthesis, structure, and reactivity of fully aryl-substituted pyrroles: toward the synthesis of nitrogen-doped buckybowls.
• Authors of publication: Yang, Sha; Zhou, Jie; Gan, Ziyang; Wu, Shuai; Shi, Dan; Yan, Hong; Xie, Lili; Cheng, Jiajia; Li, Yuanming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 4
• Pages of publication: 822 - 826
• a: 7.4039 ± 0.0008 Å
• b: 13.9229 ± 0.0012 Å
• c: 16.605 ± 0.0014 Å
• α: 109.969 ± 0.008°
• β: 95.072 ± 0.008°
• γ: 93.817 ± 0.008°
• Cell volume: 1593.9 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1243
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0203
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No