Information card for entry 1550742

Structure parameters

• Formula: C80.5 H130 Si7
• Calculated formula: C80.5 H130 Si7
• Title of publication: Site-Selective Functionalization of Si6R6 Siliconoids
• Authors of publication: Heider, Yannic; Poitiers, Nadine Elisabeth; Willmes, Philipp; Leszczynska, Kinga; Huch, Volker; Scheschkewitz, David
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 38.1514 ± 0.0015 Å
• b: 12.7134 ± 0.0005 Å
• c: 33.8416 ± 0.0011 Å
• α: 90°
• β: 94.456 ± 0.003°
• γ: 90°
• Cell volume: 16364.7 ± 1.1 ų
• Cell temperature: 132 ± 2 K
• Ambient diffraction temperature: 132 ± 2 K
• Number of distinct elements: 3
• 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: 0.0584
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1118
• 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: Yes
• Has Fobs: No