Information card for entry 7120734

Structure parameters

• Formula: C19 H16
• Calculated formula: C19 H16
• SMILES: c12ccccc1c(c(cc2)c1ccccc1)C1CC1
• Title of publication: Gold(I)-Catalyzed Intramolecular Tandem Cyclization Reaction of Alkylidenecyclopropane-Containing Alkynes
• Authors of publication: Fang, Wei; Wei, Yin; Shi, Min
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 10.22 ± 0.007 Å
• b: 14.584 ± 0.01 Å
• c: 17.645 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2630 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No