Information card for entry 1554452

Structure parameters

• Formula: C26 H23 N O2 S
• Calculated formula: C26 H23 N O2 S
• SMILES: S(=O)(=O)(N1Cc2ccccc2[C@H]2CC[C@@]32c2ccccc2C=C13)c1ccc(cc1)C.S(=O)(=O)(N1Cc2ccccc2[C@@H]2CC[C@]32c2ccccc2C=C13)c1ccc(cc1)C
• Title of publication: Gold-catalyzed ring enlargement and cycloisomerization of alkynylamide tethered alkylidenecyclopropanes
• Authors of publication: Zhang, Jia-hao; Wei, Yin; Shi, Min
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 20
• Pages of publication: 2980
• a: 10.875 ± 0.012 Å
• b: 11.83 ± 0.014 Å
• c: 16.54 ± 0.02 Å
• α: 90°
• β: 98.8 ± 0.02°
• γ: 90°
• Cell volume: 2103 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0859
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No