Information card for entry 7129679

Structure parameters

• Formula: C45 H78 Br N3 Si6
• Calculated formula: C45 H78 Br N3 Si6
• Title of publication: Tetracyclic silaheterocycle formed through a pericyclic reaction cascade including a two-fold intramolecular C–C bond activation
• Authors of publication: Lips, Felicitas; Helmer, Joschua; Pakkanen, Olli J.; Gendy, Chris; Hepp, Alexander; Tuononen, Heikki M.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 43.017 ± 0.0013 Å
• b: 13.5024 ± 0.0004 Å
• c: 20.2693 ± 0.0007 Å
• α: 90°
• β: 117.158 ± 0.002°
• γ: 90°
• Cell volume: 10475.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No