Information card for entry 7160294

Structure parameters

• Formula: C31 H20 O5
• Calculated formula: C31 H20 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: 10.1607 ± 0.0004 Å
• b: 13.9705 ± 0.0004 Å
• c: 17.2919 ± 0.0005 Å
• α: 80.397 ± 0.002°
• β: 74.367 ± 0.003°
• γ: 82.73 ± 0.003°
• Cell volume: 2322.04 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No