Information card for entry 4022837

Structure parameters

• Formula: C60 H50 B5 N5 O10
• Calculated formula: C60 H50 B5 N5 O10
• SMILES: O1c2c3O[B]1([n]1cc4O[B](Oc4cc1)([n]1cc4O[B](Oc4cc1)([n]1cc4O[B](Oc4cc1)([n]1cc4O[B](Oc4cc1)([n](c3)cc2)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Multicomponent Assembly of Boron-Based Dendritic Nanostructures
• Authors of publication: Nicolas Christinat; Rosario Scopelliti; Kay Severin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 2192 - 2200
• a: 14.8647 ± 0.0016 Å
• b: 15.086 ± 0.003 Å
• c: 15.349 ± 0.003 Å
• α: 100.494 ± 0.015°
• β: 98.176 ± 0.011°
• γ: 111.896 ± 0.013°
• Cell volume: 3055.9 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.2455
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.765
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No