Information card for entry 7113112

Structure parameters

• Formula: C84 H92 N4 O12
• Calculated formula: C84 H92 N4 O12
• Title of publication: A coincident spontaneous resolution system for racemic 1,1'-binaphthyl-2,2'-dicarboxylic acid and 1,2-diphenylethylenediamine induced by water
• Authors of publication: Imai, Yoshitane; Kawaguchi, Kakuhiro; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 362 - 364
• a: 14.094 ± 0.001 Å
• b: 16.039 ± 0.001 Å
• c: 16.595 ± 0.001 Å
• α: 100.747 ± 0.001°
• β: 98.764 ± 0.001°
• γ: 96.318 ± 0.001°
• Cell volume: 3605.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1869
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102826
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No