Information card for entry 4032264

Structure parameters

• Formula: C21 H14 N2
• Calculated formula: C21 H14 N2
• SMILES: n1c2[nH]c3c(cccc3)c2c(c2ccccc2)c2c1cccc2
• Title of publication: Microwave-Assisted Cascade Strategy for the Synthesis of Indolo[2,3-b]quinolines from 2-(Phenylethynyl)anilines and Aryl Isothiocynates.
• Authors of publication: Ali, Wajid; Dahiya, Anjali; Pandey, Ramdhari; Alam, Tipu; Patel, Bhisma K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 4
• Pages of publication: 2089 - 2096
• a: 13.1263 ± 0.0009 Å
• b: 18.8252 ± 0.0013 Å
• c: 13.4559 ± 0.001 Å
• α: 90°
• β: 112.916 ± 0.009°
• γ: 90°
• Cell volume: 3062.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No