Information card for entry 2234587

Structure parameters

• Chemical name: Dimethyl 3-(cyclopropylcarbonyl)pyrrolo[2,1-<i>a</i>]isoquinoline-1,2-dicarboxylate
• Formula: C20 H17 N O5
• Calculated formula: C20 H17 N O5
• SMILES: n12c(C(=O)C3CC3)c(C(=O)OC)c(C(=O)OC)c1c1c(cc2)cccc1
• Title of publication: Dimethyl 3-(cyclopropylcarbonyl)pyrrolo[2,1-<i>a</i>]isoquinoline-1,2-dicarboxylate
• Authors of publication: Xing, Honglong; Tang, Fan; Wang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1430
• a: 7.591 ± 0.0015 Å
• b: 18.436 ± 0.004 Å
• c: 12.162 ± 0.002 Å
• α: 90°
• β: 94.43 ± 0.03°
• γ: 90°
• Cell volume: 1697 ± 0.6 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: 0.0888
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes