Information card for entry 2008468

Structure parameters

• Chemical name: dimethyl (Z)-2-[1-methyl-2-(p-tolyl)-4,5-dihydro-1H-pyrrol-3- yl]but-2-enedioate
• Formula: C18 H21 N O4
• Calculated formula: C18 H21 N O4
• SMILES: COC(=O)/C(=C\C(=O)OC)C1=C(c2ccc(cc2)C)N(CC1)C
• Title of publication: A functionalized dimethyl maleate (maleic acid dimethyl ester)
• Authors of publication: Zellmer, Dirk; Niewa, Rainer; Kreher, Richard P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 823 - 825
• a: 6.914 ± 0.003 Å
• b: 9.48 ± 0.007 Å
• c: 13.644 ± 0.004 Å
• α: 102.9 ± 0.04°
• β: 90.3 ± 0.03°
• γ: 106.85 ± 0.05°
• Cell volume: 831.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.153
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No