Information card for entry 4066096

Structure parameters

• Formula: C15 H15 N Se
• Calculated formula: C15 H15 N Se
• SMILES: [Se]=CN(Cc1ccccc1)Cc1ccccc1
• Title of publication: (Selenocarbamoyl)silanes and -germanes: Their Synthesis Using (Selenocarbamoyl)lithium and Characterization
• Authors of publication: Murai, Toshiaki; Hori, Rumi; Maruyama, Toshifumi; Shibahara, Fumitoshi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2400
• a: 10.785 ± 0.007 Å
• b: 9.856 ± 0.006 Å
• c: 25.027 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2660 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No