Information card for entry 1543794

Structure parameters

• Formula: C27 H19 Cl2 N3 O2 Se2
• Calculated formula: C27 H19 Cl2 N3 O2 Se2
• SMILES: c1(cncc(c1C(=O)Nc1cccc2cccnc12)[Se]c1ccc(cc1)Cl)[Se]c1ccc(cc1)Cl.O
• Title of publication: Copper-Catalyzed 8-Aminoquinoline-Directed Selenylation of Arene and Heteroarene C-H Bonds.
• Authors of publication: Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 3202 - 3205
• a: 7.5562 ± 0.0003 Å
• b: 13.4128 ± 0.0007 Å
• c: 14.1944 ± 0.0007 Å
• α: 64.824 ± 0.0016°
• β: 85.1858 ± 0.0016°
• γ: 88.7061 ± 0.0017°
• Cell volume: 1297.21 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No