Information card for entry 4035165

Structure parameters

• Common name: 3-(2,4-diphenylselenophen-3-yl)-1-methyl-1H-indole
• Chemical name: 3-(2,4-diphenylselenophen-3-yl)-1-methyl-1H-indole
• Formula: C25 H17 N Se2
• Calculated formula: C25 H17 N Se2
• SMILES: [se]1c(c(c2c3c([se]c12)cccc3)c1c2c(n(c1)C)cccc2)c1ccccc1
• Title of publication: SeCl₂-Mediated Approach Toward Indole-Containing Polysubstituted Selenophenes.
• Authors of publication: Martins, Guilherme M.; Back, Davi F.; Kaufman, Teodoro S.; Silveira, Claudio C.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 6
• Pages of publication: 3252 - 3264
• a: 29.657 ± 0.004 Å
• b: 8.1546 ± 0.0012 Å
• c: 21.065 ± 0.003 Å
• α: 90°
• β: 129.27 ± 0.004°
• γ: 90°
• Cell volume: 3943.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No