Information card for entry 1508908

Structure parameters

• Common name: 2c in manuscript
• Formula: C32 H46 N2 Se Si2
• Calculated formula: C32 H46 N2 Se Si2
• 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: 14.8139 ± 0.0008 Å
• b: 15.1816 ± 0.0008 Å
• c: 30.2664 ± 0.0017 Å
• α: 90°
• β: 93.844 ± 0.001°
• γ: 90°
• Cell volume: 6791.6 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No