Information card for entry 1570415

Structure parameters

• Formula: C33 H22 F7 N3 O2
• Calculated formula: C33 H22 F7 N3 O2
• Title of publication: Selective chiral dimerization and folding driven by arene-perfluoroarene force.
• Authors of publication: Cheng, Qiuhong; Hao, Aiyou; Xing, Pengyao
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 618 - 628
• a: 8.3043 ± 0.0002 Å
• b: 8.691 ± 0.0002 Å
• c: 20.6746 ± 0.0004 Å
• α: 80.978 ± 0.002°
• β: 81.965 ± 0.002°
• γ: 67.556 ± 0.003°
• Cell volume: 1356.82 ± 0.06 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No