Information card for entry 7101586

Structure parameters

• Formula: C23 H43 B10 N Si
• Calculated formula: C23 H43 B10 N Si
• Title of publication: Carborane functionalized pyrroles and porphyrins via the Suzuki cross-coupling reaction
• Authors of publication: Graca Vicente; Frank R. Fronczek; Erhong Hao.
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 47
• a: 18.875 ± 0.002 Å
• b: 10.6604 ± 0.001 Å
• c: 28.891 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5813.3 ± 1 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No