Information card for entry 1554451

Structure parameters

• Formula: C26 H23 N O2 S
• Calculated formula: C26 H23 N O2 S
• SMILES: S(=O)(=O)(N1Cc2ccccc2C2=C(CC2)C\1=C\c1ccccc1)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: 12.1152 ± 0.0014 Å
• b: 14.1577 ± 0.0018 Å
• c: 24.768 ± 0.003 Å
• α: 90°
• β: 93.519 ± 0.002°
• γ: 90°
• Cell volume: 4240.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No