Information card for entry 2214837

Structure parameters

• Chemical name: Benzyl 4-ethyl-3-methyl-5-(phthalimidomethyl)pyrrole-2-carboxylate
• Formula: C24 H22 N2 O4
• Calculated formula: C24 H22 N2 O4
• SMILES: [nH]1c(c(c(c1C(=O)OCc1ccccc1)C)CC)CN1C(=O)c2ccccc2C1=O
• Title of publication: Benzyl 4-ethyl-3-methyl-5-(phthalimidomethyl)pyrrole-2-carboxylate
• Authors of publication: Senge, Mathias O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3363 - o3363
• a: 19.322 ± 0.006 Å
• b: 7.482 ± 0.004 Å
• c: 14.104 ± 0.003 Å
• α: 90°
• β: 98.27 ± 0.02°
• γ: 90°
• Cell volume: 2017.8 ± 1.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes