Information card for entry 1543806

Structure parameters

• Formula: C23 H17 N O2
• Calculated formula: C23 H17 N O2
• SMILES: O=C(C1C2(c3c(c4c2cccc4)cccc3)C(=O)NC1)c1ccccc1
• 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: 11.9577 ± 0.0013 Å
• b: 33.256 ± 0.003 Å
• c: 8.9182 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3546.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.209
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No