Information card for entry 7226176

Structure parameters

• Chemical name: methyl 3,4,4-trimethyl-4,5-dihydroimidazo[1,5-a]quinoxaline-7-carboxylate
• Formula: C15 H17 N3 O2
• Calculated formula: C15 H17 N3 O2
• SMILES: O(C)C(=O)c1cc2NC(c3n(c2cc1)cnc3C)(C)C
• Title of publication: Regioselective Synthesis of Imidazo[1,5-a]quinoxalines and Methyl N-Phenylbenzimidats on Ionic Liquid Support
• Authors of publication: Chen, Li-Hsun; Kao, Chih-Hsien; DHOLE, SANDIP; Barve, Indrajeet; Shen, Li-Ching; Chung, Wen-Sheng; Sun, Chung-Ming
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.2166 ± 0.0006 Å
• b: 15.0686 ± 0.001 Å
• c: 22.6298 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2801.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No