Information card for entry 1546128

Structure parameters

• Formula: C117.06 H104.25 I12 N25.11 O10.05 Zn6
• Calculated formula: C117.06 H104.25 I12 N25.11 O10.05 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: 34.9084 ± 0.0006 Å
• b: 14.9228 ± 0.0002 Å
• c: 29.6669 ± 0.0005 Å
• α: 90°
• β: 101.028 ± 0.002°
• γ: 90°
• Cell volume: 15169 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No