Information card for entry 4082593

Structure parameters

• Formula: C21 H30 N2 Si
• Calculated formula: C21 H30 N2 Si
• SMILES: [Si]12(n3c(c(c(c3C(=C)c3n1c(c(c3C)CC)C)C)CC)C)CCC2
• Title of publication: Silicon Compounds of 1,1-Bis(pyrrol-2-yl)ethenes: Molecular Structures and Chemical and Spectroscopic Properties
• Authors of publication: Kämpfe, Alexander; Kroke, Edwin; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 112
• a: 27.0503 ± 0.001 Å
• b: 5.3654 ± 0.0002 Å
• c: 40.6412 ± 0.0014 Å
• α: 90°
• β: 100.663 ± 0.003°
• γ: 90°
• Cell volume: 5796.6 ± 0.4 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 4
• 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: 0.0831
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.125
• 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: No
• Has Fobs: No