Information card for entry 4037606

Structure parameters

• Common name: Keto Indolo quinoxaline (common name)
• Chemical name: 1. [1,3]dioxolo[4',5':5,6]indolo[1,2-a]quinoxalin-6-yl (4-(tert-butyl)phenyl)methanone (IUPAC name)
• Formula: C27 H22 N2 O3
• Calculated formula: C27 H22 N2 O3
• SMILES: O1COc2c1cc1n3c4ccccc4nc(c3cc1c2)C(=O)c1ccc(cc1)C(C)(C)C
• Title of publication: Diversity-oriented synthesis of ketoindoloquinoxalines and indolotriazoloquinoxalines from 1-(2-nitroaryl)-2-alkynylindoles.
• Authors of publication: Samala, Srinivas; Arigela, Rajesh K.; Kant, Ruchir; Kundu, Bijoy
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 6
• Pages of publication: 2491 - 2500
• a: 7.064 ± 0.003 Å
• b: 12.199 ± 0.005 Å
• c: 13.628 ± 0.005 Å
• α: 71.951 ± 0.016°
• β: 77.552 ± 0.019°
• γ: 80.597 ± 0.018°
• Cell volume: 1084.4 ± 0.8 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: 0.0904
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No