Information card for entry 1571155

Structure parameters

• Common name: 3a in manuscript
• Formula: C26 H44 N2 Se2 Si2
• Calculated formula: C26 H44 N2 Se2 Si2
• SMILES: [se]1c(cc2c1nc1cc([se]c1n2)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis and structural properties of <i>para</i>-diselenopyrazines.
• Authors of publication: Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 28
• Pages of publication: 3786 - 3789
• a: 14.408 ± 0.0014 Å
• b: 16.0163 ± 0.0016 Å
• c: 12.9816 ± 0.0013 Å
• α: 90°
• β: 97.694 ± 0.002°
• γ: 90°
• Cell volume: 2968.7 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No