Information card for entry 4076579

Structure parameters

• Formula: C26 H50 N4
• Calculated formula: C26 H50 N4
• SMILES: c1(cc(NCC(C)(C)C)c(cc1NCC(C)(C)C)NCC(C)(C)C)NCC(C)(C)C
• Title of publication: Synthesis and Characterization of Rigid Ditopic N-Heterocyclic Benzobisgermylenes and -stannylenes
• Authors of publication: Krupski, Sergei; Dickschat, Julia V.; Hepp, Alexander; Pape, Tania; Hahn, F. Ekkehardt
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 2078
• a: 11.8808 ± 0.0018 Å
• b: 5.8206 ± 0.0009 Å
• c: 19.977 ± 0.003 Å
• α: 90°
• β: 94.089 ± 0.003°
• γ: 90°
• Cell volume: 1378 ± 0.4 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 1 K
• Number of distinct elements: 3
• 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: 0.0857
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No