Information card for entry 1555828

Structure parameters

• Formula: C23 H17 N O
• Calculated formula: C23 H17 N O
• SMILES: N(c1c2c(cccc2)c(cc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Metal/Benzoyl Peroxide (BPO)-Controlled Chemoselective Cycloisomerization of (o-Alkynyl)phenyl Enaminones: Synthesis of α-Naphthylamines and Indeno[1,2-c]pyrrolones.
• Authors of publication: Zhang, Fangfang; Qin, Zhengchen; Kong, Lingkai; Zhao, Yulei; Liu, Yuanyuan; Li, Yanzhong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 5150 - 5153
• a: 8.369 ± 0.007 Å
• b: 9.476 ± 0.008 Å
• c: 11.907 ± 0.01 Å
• α: 108.133 ± 0.015°
• β: 106.771 ± 0.016°
• γ: 92.352 ± 0.018°
• Cell volume: 850.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1903
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No