Information card for entry 2015103

Structure parameters

• Chemical name: 1,2,3-Trimethoxy-5,11-dihydroindolo[1,2-b]isoquinoline-5,11-dione
• Formula: C19 H15 N O5
• Calculated formula: C19 H15 N O5
• SMILES: COc1cc2c(c(c1OC)OC)cc1n(c2=O)c2ccccc2C1=O
• Title of publication: 1,2,3-Trimethoxy-5,11-dihydroindolo[1,2-<i>b</i>]isoquinoline-5,11-dione
• Authors of publication: M. Yogavel; D. Velmurugan; W. G. Rajeswaran; P. C. Srinivasan; H.-K. Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o715 - o717
• a: 20.8934 ± 0.0004 Å
• b: 14.24 ± 0.0003 Å
• c: 22.8886 ± 0.0004 Å
• α: 90°
• β: 110.014 ± 0.001°
• γ: 90°
• Cell volume: 6398.6 ± 0.2 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: 0.1423
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes