Information card for entry 1543805

Structure parameters

• Formula: C30 H23 N O4 S
• Calculated formula: C30 H23 N O4 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)N1C(=O)C(=C(C1)C(=O)c1ccccc1)c1c(c2ccccc2)cccc1
• Title of publication: Dimethyl Sulfoxide and N-Iodosuccinimide Promoted 5-exo-dig Oxidative Cyclization of Yne-Tethered Ynamide: Access to Pyrrolidones and Spiro-pyrrolidones.
• Authors of publication: Prabagar, B.; Nayak, Sanatan; Prasad, Rangu; Sahoo, Akhila K.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 3066 - 3069
• a: 18.3425 ± 0.0003 Å
• b: 10.4967 ± 0.0002 Å
• c: 52.3489 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10079 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No