Information card for entry 1508910

Structure parameters

• Common name: 4c in manuscript
• Formula: C34 H46 N4 Se Si2
• Calculated formula: C34 H46 N4 Se Si2
• SMILES: [se]1nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c3c(c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2n1)nc1ccccc1n3
• Title of publication: From thia- to selenadiazoles: changing interaction priority.
• Authors of publication: Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 666 - 669
• a: 9.0805 ± 0.0004 Å
• b: 12.4223 ± 0.0006 Å
• c: 16.7125 ± 0.0008 Å
• α: 71.73 ± 0.001°
• β: 83.493 ± 0.001°
• γ: 81.475 ± 0.001°
• Cell volume: 1765.88 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No