Information card for entry 7126510

Structure parameters

• Formula: C25 H22 Cl F3 N4
• Calculated formula: C25 H22 Cl F3 N4
• Title of publication: An efficient, stereocontrolled and versatile synthetic route to bicyclic partially saturated privileged scaffolds.
• Authors of publication: Stewart, Hannah L.; Hanby, Abigail R.; King, Thomas A.; Bond, Andrew D.; Moss, Thomas A.; Sore, Hannah F.; Spring, David R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 50
• Pages of publication: 6818 - 6821
• a: 5.6933 ± 0.0004 Å
• b: 12.7845 ± 0.001 Å
• c: 15.7666 ± 0.0013 Å
• α: 90°
• β: 99.16 ± 0.007°
• γ: 90°
• Cell volume: 1132.95 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1503
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No