Information card for entry 4513794

Structure parameters

• Formula: C112 H91 F12 N O16 P4
• Calculated formula: C112 H91 F12 N O16 P4
• Title of publication: Hydrogen Bonds-Enabled Design of aC1-Symmetric Chiral Brønsted Acid Catalyst
• Authors of publication: Momiyama, Norie; Funayama, Kosuke; Noda, Hirofumi; Yamanaka, Masahiro; Akasaka, Naohiko; Ishida, Shintaro; Iwamoto, Takeaki; Terada, Masahiro
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 949
• a: 24.1287 ± 0.0008 Å
• b: 24.1287 ± 0.0008 Å
• c: 33.801 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17042.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1322
• 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