Information card for entry 7122267

Structure parameters

• Formula: C32 H29 F3 N4 O3
• Calculated formula: C32 H29 F3 N4 O3
• Title of publication: Catalytic asymmetric synthesis of diphenylbutazone analogues.
• Authors of publication: Li, Shi-Wu; Kang, Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 74
• Pages of publication: 10479 - 10482
• a: 10.5588 ± 0.0002 Å
• b: 11.2682 ± 0.0002 Å
• c: 12.194 ± 0.0002 Å
• α: 90°
• β: 90.698 ± 0.002°
• γ: 90°
• Cell volume: 1450.72 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No