Information card for entry 1550626

Structure parameters

• Formula: C56 H68 F12 K O12 P
• Calculated formula: C56 H68 F12 K O12 P
• Title of publication: Synthesis and characterization of a pair of O-fac/O-mer 12-P-6 alkyloxaphosphates with a P-O-C-C four-membered ring
• Authors of publication: Jiang, Xin-Dong; Toya, Yuya; Matsukawa, Shiro; Kojima, Satoshi; Jimenez-Halla, Jose Oscar Carlos; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 15.552 ± 0.003 Å
• b: 13.58 ± 0.003 Å
• c: 28.022 ± 0.006 Å
• α: 90°
• β: 95.733 ± 0.003°
• γ: 90°
• Cell volume: 5889 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.181
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No