Information card for entry 7229398

Structure parameters

• Formula: C34 H29 F2 N O6
• Calculated formula: C34 H29 F2 N O6
• SMILES: C1(Cc2c(c(c3C(=O)N(C(=O)c3c2C1)C)c1ccc(cc1)F)C#Cc1ccc(cc1)F)(C(=O)OC(C)C)C(=O)OC(C)C
• Title of publication: Fused multifunctionalized isoindole-1,3-diones via the coupled oxidation of imidazoles and tetraynes
• Authors of publication: Hu, Qiong; Li, Lidong; Yin, Fei; Zhang, Hao; Hu, Yadong; Liu, Baohua; Hu, Yimin
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 78
• Pages of publication: 49810
• a: 10.0453 ± 0.0011 Å
• b: 13.561 ± 0.003 Å
• c: 13.8814 ± 0.0015 Å
• α: 113.863 ± 0.002°
• β: 108.606 ± 0.001°
• γ: 92.439 ± 0.002°
• Cell volume: 1606.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1659
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.3785
• Weighted residual factors for all reflections included in the refinement: 0.4446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No