Information card for entry 7119401

Structure parameters

• Formula: C33 H22 Cl2 O4 Se
• Calculated formula: C33 H22 Cl2 O4 Se
• SMILES: C1(Cc2c3c(c(c(c2C1)C#Cc1ccc(cc1)Cl)c1ccc(cc1)Cl)c1ccccc1[se]3)(C(=O)OC)C(=O)OC
• 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: 11.1578 ± 0.001 Å
• b: 11.3581 ± 0.001 Å
• c: 12.6856 ± 0.0011 Å
• α: 86.395 ± 0.001°
• β: 80.464 ± 0.001°
• γ: 64.078 ± 0.001°
• Cell volume: 1425.9 ± 0.2 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: 0.0446
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No