Information card for entry 7154813

Structure parameters

• Chemical name: 5,8-Dimethoxy-1,6b-dimethyl-1a,6b-dihydro-1H- benzofuro[2,3-b]indole
• Formula: C18 H19 N O3
• Calculated formula: C18 H19 N O3
• SMILES: CN1c2ccc(cc2[C@]2(c3cc(ccc3O[C@@H]12)OC)C)OC.CN1c2ccc(cc2[C@@]2(c3cc(ccc3O[C@H]12)OC)C)OC
• Title of publication: [3 + 2]-Annulations of N-alkyl-3-substituted indoles with quinone monoketals catalysed by Brønsted acids.
• Authors of publication: Chai, Zhuo; Chen, Jia-Nan; Liu, Zhen; Li, Xue-Fei; Yang, Pei-Jun; Hu, Ji-Ping; Yang, Gaosheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1024 - 1030
• a: 11.5236 ± 0.0015 Å
• b: 7.0451 ± 0.0009 Å
• c: 19.746 ± 0.003 Å
• α: 90°
• β: 104.565 ± 0.001°
• γ: 90°
• Cell volume: 1551.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0552
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No