Information card for entry 4023060

Structure parameters

• Formula: C26 H28 N2 O2
• Calculated formula: C26 H28 N2 O2
• Title of publication: Enzymatic Resolution of 7,7'-Dihydroxy-8,8'-biquinolyl Dipentanoate and Its Conversion to 2,2'-Di-tert-butyl-7,7'-dihydroxy-8,8'-biquinolyl
• Authors of publication: Paul R. Blakemore; Selena D. Milicevic; Lev N. Zakharov
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9368 - 9371
• a: 25.843 ± 0.002 Å
• b: 13.9239 ± 0.0011 Å
• c: 28.316 ± 0.002 Å
• α: 90°
• β: 116.791 ± 0.001°
• γ: 90°
• Cell volume: 9095.4 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No