Information card for entry 4032372

Structure parameters

• Chemical name: 2-methoxy-11H-indolo[3,2-c]quinoline
• Formula: C16 H12 N2 O
• Calculated formula: C16 H12 N2 O
• SMILES: c12c3[nH]c4c(c3cnc2ccc(OC)c1)cccc4
• 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: 5.1053 ± 0.0003 Å
• b: 18.1238 ± 0.0012 Å
• c: 12.8535 ± 0.0007 Å
• α: 90°
• β: 93.383 ± 0.006°
• γ: 90°
• Cell volume: 1187.23 ± 0.12 ų
• Cell temperature: 292.96 ± 0.15 K
• Ambient diffraction temperature: 292.96 ± 0.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No