Information card for entry 2008096

Structure parameters

• Common name: (S)-2,2'-dihydroxy-1,1'-binaphthyl (R,R)-1,2-cyclohexanediamine
• Formula: C26 H28 N2 O2
• Calculated formula: C26 H28 N2 O2
• SMILES: Oc1ccc2ccccc2c1c1c2ccccc2ccc1O.N[C@@H]1CCCC[C@H]1N
• Title of publication: Diastereomeric complexes of 1,1'-binaphthyl-2,2'-diol and (<i>R</i>,<i>R</i>)-1,2-cyclohexanediamine
• Authors of publication: Fukushima, Shigeru; Hosomi, Hiroyuki; Ohba, Shigeru; Kawashima, Masatoshi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 120 - 123
• a: 8.056 ± 0.001 Å
• b: 13.552 ± 0.001 Å
• c: 10.822 ± 0.001 Å
• α: 90°
• β: 111.53 ± 0.01°
• γ: 90°
• Cell volume: 1099.1 ± 0.2 ų
• Cell temperature: 300 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No