Information card for entry 7123578

Structure parameters

• Formula: C25 H23 Cl O5
• Calculated formula: C25 H23 Cl O5
• Title of publication: Construction of polycyclic bridged indene derivatives by a tandem 1,3-rearrangement/intramolecular Friedel-Crafts cyclization of propargyl acetates
• Authors of publication: Zhu, Shifa; Zhang, Jiantao; Liao, Zhehui; Chen, Lianfen; Jiang, Huanfeng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 10.7102 ± 0.0014 Å
• b: 11.1405 ± 0.0013 Å
• c: 11.3689 ± 0.0013 Å
• α: 69.694 ± 0.011°
• β: 76.371 ± 0.011°
• γ: 62.034 ± 0.013°
• Cell volume: 1119.3 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2885
• Weighted residual factors for all reflections included in the refinement: 0.3048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No