Information card for entry 4124460

Structure parameters

• Formula: C30 H31 Cl4 I4 N9
• Calculated formula: C30 H31 Cl4 I4 N9
• Title of publication: Cationic Multidentate Halogen-Bond Donors in Halide Abstraction Organocatalysis: Catalyst Optimization by Preorganization.
• Authors of publication: Jungbauer, Stefan H.; Huber, Stefan M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 37
• Pages of publication: 12110 - 12120
• a: 15.3276 ± 0.0012 Å
• b: 11.0066 ± 0.001 Å
• c: 24.485 ± 0.002 Å
• α: 90°
• β: 102.697 ± 0.009°
• γ: 90°
• Cell volume: 4029.7 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No