Information card for entry 2235681

Structure parameters

• Chemical name: Ethyl 2-phenyl-5,6-dihydropyrrolo[2,1-<i>a</i>]isoquinoline-3-carboxylate
• Formula: C21 H19 N O2
• Calculated formula: C21 H19 N O2
• SMILES: n12CCc3c(cccc3)c2cc(c1C(=O)OCC)c1ccccc1
• Title of publication: Ethyl 2-phenyl-5,6-dihydropyrrolo[2,1-<i>a</i>]isoquinoline-3-carboxylate
• Authors of publication: Yu, Zhao-Peng; Zhao, Ming; Feng, Cheng-Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2021
• a: 8.1527 ± 0.0006 Å
• b: 8.4029 ± 0.0006 Å
• c: 12.422 ± 0.0008 Å
• α: 100.117 ± 0.006°
• β: 101.155 ± 0.005°
• γ: 94.312 ± 0.006°
• Cell volume: 816.66 ± 0.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes