Information card for entry 4027542

Structure parameters

• Formula: C22 H20 N2
• Calculated formula: C22 H20 N2
• SMILES: [nH]1c2ccccc2c(c1C)C1CCCc2nc3c(cc12)cccc3
• Title of publication: Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines
• Authors of publication: Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8451 - 8464
• a: 6.4451 ± 0.0002 Å
• b: 26.2633 ± 0.0011 Å
• c: 9.9175 ± 0.0005 Å
• α: 90°
• β: 99.505 ± 0.002°
• γ: 90°
• Cell volume: 1655.68 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1613
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.2046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No