Information card for entry 7119402

Structure parameters

• Formula: C38 H34 O4 Se
• Calculated formula: C38 H34 O4 Se
• SMILES: c12c(cccc1c1c(c3ccccc3)c(c3CC(Cc3c1[se]2)(C(=O)OC(C)C)C(=O)OC(C)C)C#Cc1ccccc1)C
• Title of publication: Fused multifunctionalized dibenzoselenophenes from tetraynes.
• Authors of publication: Hu, Yimin; Ma, Jie; Li, Lidong; Hu, Qiong; Lv, Shuang; Liu, Baohua; Wang, Shaowu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1542 - 1545
• a: 11.8983 ± 0.0012 Å
• b: 24.716 ± 0.002 Å
• c: 12.991 ± 0.0009 Å
• α: 90°
• β: 120.114 ± 0.006°
• γ: 90°
• Cell volume: 3304.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.185
• Residual factor for significantly intense reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.3851
• Weighted residual factors for all reflections included in the refinement: 0.4433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No