Information card for entry 4035164

Structure parameters

• Common name: methoxyphenyl phenylbenzo selenopheno selenophene
• Chemical name: 3-(4-methoxyphenyl)-2-phenylbenzo[b]selenopheno[3,2-d]selenophene
• Formula: C23 H16 O Se2
• Calculated formula: C23 H16 O Se2
• SMILES: [se]1c2[se]c(c(c2c2c1cccc2)c1ccc(OC)cc1)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: 10.26 ± 0.002 Å
• b: 10.6085 ± 0.0015 Å
• c: 11.2369 ± 0.0017 Å
• α: 94.317 ± 0.016°
• β: 115.917 ± 0.016°
• γ: 115.692 ± 0.014°
• Cell volume: 936.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No