Information card for entry 1546131

Structure parameters

• Formula: C122.98 H117.96 I12 N28 Zn6
• Calculated formula: C122.98 H117.96 I12 N28 Zn6
• Title of publication: Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method
• Authors of publication: Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 34.869 ± 0.0006 Å
• b: 14.9135 ± 0.0001 Å
• c: 31.5649 ± 0.0005 Å
• α: 90°
• β: 102.275 ± 0.002°
• γ: 90°
• Cell volume: 16039.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No