Information card for entry 7101587

Structure parameters

• Formula: C90 H110 B40 Cl2 F6 N4 O5
• Calculated formula: C90 H106 B40 Cl2 F6 N4 O5
• 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: 13.618 ± 0.003 Å
• b: 33.525 ± 0.006 Å
• c: 23.329 ± 0.005 Å
• α: 90°
• β: 103.989 ± 0.006°
• γ: 90°
• Cell volume: 10335 ± 4 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.203
• Residual factor for significantly intense reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.364
• Weighted residual factors for all reflections included in the refinement: 0.407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.428
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No