Information card for entry 7160630

Structure parameters

• Formula: C90 H78 N2 O8
• Calculated formula: C90 H78 N2 O8
• Title of publication: Convenient one-step construction of fused or zwitterionic indanes from tetraynes.
• Authors of publication: Liu, Chencheng; Tong, Yao; Wang, Fenhua; Li, Qinghai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 4909 - 4916
• a: 22.9592 ± 0.0009 Å
• b: 9.5176 ± 0.0004 Å
• c: 33.7688 ± 0.0013 Å
• α: 90°
• β: 100.575 ± 0.002°
• γ: 90°
• Cell volume: 7253.7 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No