Information card for entry 7118974

Structure parameters

• Formula: C26 H27 F3 N2 O4 S
• Calculated formula: C26 H27 F3 N2 O4 S
• Title of publication: Intramolecular cyclizations of cyclopropenes with indole
• Authors of publication: Peng-Long Zhu; Xiang-Ying Tang; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7245
• a: 9.9556 ± 0.0015 Å
• b: 14.589 ± 0.002 Å
• c: 18.274 ± 0.003 Å
• α: 81.682 ± 0.003°
• β: 76.959 ± 0.004°
• γ: 88.485 ± 0.004°
• Cell volume: 2558.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.13
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No