Information card for entry 2223485

Structure parameters

• Chemical name: \ 6-Benzyl-3,4-dimethoxy-9-methylpyrido[2',1':2,3]imidazo[4,5-<i>c</i>]\ isoquinolin-5(6<i>H</i>)-one
• Formula: C24 H21 N3 O3
• Calculated formula: C24 H21 N3 O3
• SMILES: O=C1N(c2n3c(nc2c2c1c(OC)c(OC)cc2)cc(cc3)C)Cc1ccccc1
• Title of publication: 6-Benzyl-3,4-dimethoxy-10-methylpyrido[2',1':2,3]imidazo[4,5-<i>c</i>]isoquinolin-5(6<i>H</i>)-one
• Authors of publication: Meindl, Kathrin; Stern, Daniel; Mert-Balci, Fadime; Beifuss, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2464 - o2465
• a: 8.365 ± 0.0017 Å
• b: 7.05 ± 0.0014 Å
• c: 15.983 ± 0.003 Å
• α: 90°
• β: 92.27 ± 0.03°
• γ: 90°
• Cell volume: 941.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes