Information card for entry 1546132

Structure parameters

• Formula: C136.11 H131.89 I12 N27.41 Zn6
• Calculated formula: C136.11 H131.89 I12 N27.41 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: 36.1897 ± 0.0008 Å
• b: 14.6874 ± 0.0002 Å
• c: 34.7427 ± 0.0008 Å
• α: 90°
• β: 109.742 ± 0.002°
• γ: 90°
• Cell volume: 17381.5 ± 0.6 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: 0.0865
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No