Information card for entry 1542731

Structure parameters

• Formula: C24 H18
• Calculated formula: C24 H18
• SMILES: C12(CCC1=CC=CC2)c1ccc2c3c1ccc1c3c(ccc1)cc2
• Title of publication: Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects
• Authors of publication: Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4318
• a: 7.4014 ± 0.0012 Å
• b: 11.2513 ± 0.0018 Å
• c: 19.726 ± 0.003 Å
• α: 90°
• β: 91.021 ± 0.004°
• γ: 90°
• Cell volume: 1642.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.1389
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No