Information card for entry 4032373

Structure parameters

• Chemical name: 2,3-dimethoxy-11H-indolo[3,2-c]quinoline
• Formula: C17 H14 N2 O2
• Calculated formula: C17 H14 N2 O2
• SMILES: c12c(c3c(c4c([nH]3)cccc4)cn1)cc(c(c2)OC)OC
• Title of publication: One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine.
• Authors of publication: Aksenov, Alexander V.; Aksenov, Dmitrii A.; Orazova, Naila A.; Aksenov, Nicolai A.; Griaznov, Georgii D.; De Carvalho, Annelise; Kiss, Robert; Mathieu, Véronique; Kornienko, Alexander; Rubin, Michael
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 6
• Pages of publication: 3011 - 3018
• a: 20.00573 ± 0.00015 Å
• b: 20.00573 ± 0.00015 Å
• c: 13.20742 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5286 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No