Information card for entry 2226099

Structure parameters

• Chemical name: Phenyl(pyrrolo[2,1-<i>a</i>]isoquinolin-3-yl)methanone
• Formula: C19 H13 N O
• Calculated formula: C19 H13 N O
• SMILES: n12c(c3c(cc2)cccc3)ccc1C(=O)c1ccccc1
• Title of publication: Phenyl(pyrrolo[2,1-<i>a</i>]isoquinolin-3-yl)methanone
• Authors of publication: Liu, Yun; Jiang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1376
• a: 28.637 ± 0.006 Å
• b: 4.04 ± 0.0008 Å
• c: 11.824 ± 0.002 Å
• α: 90°
• β: 101.02 ± 0.03°
• γ: 90°
• Cell volume: 1342.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1299
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes