Information card for entry 1505865

Structure parameters

• Chemical name: (R,R)-cis-endo-1,3-Di((1-phenylethylamino)carbonyl) bicyclo[1.1.1]pentane-2,4-dicarboxylic acid
• Formula: C30 H31 N2 O6
• Calculated formula: C30 H31 N2 O6
• Title of publication: cis-endo-Bicyclo[1.1.1]pentane-1,2,3,4- tetracarboxylic acid and its derivatives.
• Authors of publication: Mazal, Ctibor; Skarka, Ondrej; Kaleta, Jirí; Michl, Josef
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 749 - 752
• a: 25.89 ± 0.005 Å
• b: 9.1958 ± 0.0018 Å
• c: 11.305 ± 0.002 Å
• α: 90°
• β: 97.94 ± 0.03°
• γ: 90°
• Cell volume: 2665.7 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 0.604
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No