Information card for entry 7226523

Structure parameters

• Formula: C27 H23 Cl O5
• Calculated formula: C27 H23 Cl O5
• SMILES: Clc1c2c(cc(OC)cc2)c2c(c3c(c4cc(OC)c(OC)cc24)cc(OC)c(OC)c3)c1
• Title of publication: Synthesis, structure and properties of polysubstituted benzo[g]chrysene by FeCl3-promoted from diphenylacetypene and phenylacetaldehyde derivatives
• Authors of publication: Bai, Yue-Feng; Chen, Li-Qin; Xiang, Shi-Kai; Zhang, Kan; Li, Qiang-Gen; Feng, chun; Hu, Ping; Wang, Bi-Qin; Zhao, Keqing
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.6943 ± 0.0005 Å
• b: 5.11536 ± 0.00016 Å
• c: 36.4078 ± 0.0014 Å
• α: 90°
• β: 94.254 ± 0.004°
• γ: 90°
• Cell volume: 2171.93 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0758
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No