Information card for entry 7119400

Structure parameters

• Formula: C39 H36 O4 Se
• Calculated formula: C39 H36 O4 Se
• 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: 14.263 ± 0.002 Å
• b: 8.8263 ± 0.0013 Å
• c: 27.54 ± 0.004 Å
• α: 90°
• β: 97.494 ± 0.002°
• γ: 90°
• Cell volume: 3437.4 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2105
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No