Information card for entry 1504745

Structure parameters

• Formula: C43 H54 Br2 N2 O11 P2 S2
• Calculated formula: C43 H54 Br2 N2 O11 P2 S2
• Title of publication: Practical enantioselective synthesis of axially chiral biaryl diphosphonates and dicarboxylates by cationic rhodium(I)/Segphos-catalyzed double [2 + 2 + 2] cycloaddition.
• Authors of publication: Nishida, Goushi; Ogaki, Shuichiro; Yusa, Yukinori; Yokozawa, Tohru; Noguchi, Keiichi; Tanaka, Ken
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2849 - 2852
• a: 17.2078 ± 0.0003 Å
• b: 11.5303 ± 0.0002 Å
• c: 12.0049 ± 0.0002 Å
• α: 90°
• β: 102.513 ± 0.001°
• γ: 90°
• Cell volume: 2325.33 ± 0.07 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No