Information card for entry 7123579

Structure parameters

• Formula: C31 H28 O6
• Calculated formula: C31 H28 O6
• 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: 10.6945 ± 0.0008 Å
• b: 24.562 ± 0.002 Å
• c: 9.9544 ± 0.0009 Å
• α: 90°
• β: 98.892 ± 0.007°
• γ: 90°
• Cell volume: 2583.4 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No