Information card for entry 1553884

Structure parameters

• Formula: C19 H20 O
• Calculated formula: C19 H20 O
• SMILES: O(CCCC1=CC2(c3c4c(cccc4)ccc13)CC2)C
• Title of publication: Gold(i) catalyzed cascade cyclization: intramolecular two-fold nucleophilic addition to vinylidenecyclopropanes (VDCPs)
• Authors of publication: Zang, Wenqing; Wei, Yin; Shi, Min
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 197
• a: 8.859 ± 0.0015 Å
• b: 21.377 ± 0.004 Å
• c: 8.0979 ± 0.0014 Å
• α: 90°
• β: 106.44 ± 0.004°
• γ: 90°
• Cell volume: 1470.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0664
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No