Information card for entry 4032201

Structure parameters

• Common name: phenyl(1-phenylnaphtalen-2-yl)selane
• Chemical name: phenyl(1-phenylnaphtalen-2-yl)selane
• Formula: C22 H16 Se
• Calculated formula: C22 H16 Se
• SMILES: [Se](c1c(c2ccccc2)c2ccccc2cc1)c1ccccc1
• Title of publication: Sequential Carbon-Carbon/Carbon-Selenium Bond Formation Mediated by Iron(III) Chloride and Diorganyl Diselenides: Synthesis and Reactivity of 2-Organoselenyl-Naphthalenes.
• Authors of publication: Recchi, Ana M. S.; Back, Davi F.; Zeni, Gilson
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 5
• Pages of publication: 2713 - 2723
• a: 6.2573 ± 0.0008 Å
• b: 14.6575 ± 0.0016 Å
• c: 18.162 ± 0.002 Å
• α: 90°
• β: 92.354 ± 0.004°
• γ: 90°
• Cell volume: 1664.3 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No