Information card for entry 7113110

Structure parameters

• Formula: C88 H100 N4 O12
• Calculated formula: C88 H100 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: 55.014 ± 0.003 Å
• b: 11.36 ± 0.001 Å
• c: 27.971 ± 0.002 Å
• α: 90°
• β: 119.229 ± 0.001°
• γ: 90°
• Cell volume: 15255 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102824
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No