Information card for entry 7129678

Structure parameters

• Formula: C141 H192 Br2 N6 Si12
• Calculated formula: C141 H192 Br2 N6 Si12
• 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: 12.7757 ± 0.0005 Å
• b: 13.7788 ± 0.0005 Å
• c: 21.0655 ± 0.0008 Å
• α: 104.348 ± 0.001°
• β: 103.675 ± 0.001°
• γ: 100.735 ± 0.001°
• Cell volume: 3370.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No