Information card for entry 1540593

Structure parameters

• Formula: C33 H24 F3 N O4 S
• Calculated formula: C33 H24 F3 N O4 S
• SMILES: S(=O)(=O)(N1Cc2c(c3ccccc3cc2c2ccccc2)C(c2c(OC(F)(F)F)cccc2)C1=O)c1ccc(cc1)C
• Title of publication: p-TsOH Promoted Au(I)-Catalyzed Consecutive Endo Cyclization of Yne-Tethered Ynamide: Access to Benzofused Dihydroisoquinolones.
• Authors of publication: Nayak, Sanatan; Ghosh, Nayan; Prabagar, B.; Sahoo, Akhila K.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5662 - 5665
• a: 14.2696 ± 0.0019 Å
• b: 14.853 ± 0.002 Å
• c: 14.948 ± 0.003 Å
• α: 67.375 ± 0.018°
• β: 72.768 ± 0.015°
• γ: 89.623 ± 0.012°
• Cell volume: 2772.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.29
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No