Information card for entry 2220341

Structure parameters

• Chemical name: 3-Phenyl-1-[2-(3-phenylisoquinolin-1-yl)diselanyl]isoquinoline
• Formula: C30 H20 N2 Se2
• Calculated formula: C30 H20 N2 Se2
• SMILES: c1([Se][Se]c2c3ccccc3cc(n2)c2ccccc2)c2ccccc2cc(n1)c1ccccc1
• Title of publication: 3-Phenyl-1-[2-(3-phenylisoquinolin-1-yl)diselanyl]isoquinoline
• Authors of publication: Hathwar, Venkatesha R.; Prabakaran, K.; Subashini, R.; Manivel, P.; Khan, F. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2295
• a: 11.2441 ± 0.0017 Å
• b: 17.559 ± 0.003 Å
• c: 13.248 ± 0.003 Å
• α: 90°
• β: 115.082 ± 0.002°
• γ: 90°
• Cell volume: 2369 ± 0.8 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes