Information card for entry 4104287

Structure parameters

• Formula: C103 H128 B6 Cl16 N6 O12
• Calculated formula: C103 H128 B6 Cl16 N6 O12
• Title of publication: Synthesis of Molecular Nanostructures by Multicomponent Condensation Reactions in a Ball Mill
• Authors of publication: Burçak Içli; Nicolas Christinat; Justus Tönnemann; Christian Schüttler; Rosario Scopelliti; Kay Severin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3154 - 3155
• a: 15.021 ± 0.003 Å
• b: 15.613 ± 0.002 Å
• c: 49.722 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11661 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1833
• Weighted residual factors for all reflections included in the refinement: 0.201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No