Information card for entry 4104009

Structure parameters

• Chemical name: tert-butyl 4-(2-aminophenyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
• Formula: C15 H20 N2 O2
• Calculated formula: C15 H20 N1.97 O2
• Title of publication: New Synthetic Technologies for the Construction of Heterocycles and Tryptamines
• Authors of publication: K. C. Nicolaou; Arkady Krasovskiy; Utpal Majumder; Vincent É. Trépanier; David Y.-K. Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3690 - 3699
• a: 9.331 ± 0.002 Å
• b: 16.104 ± 0.003 Å
• c: 10.041 ± 0.002 Å
• α: 90°
• β: 97.237 ± 0.014°
• γ: 90°
• Cell volume: 1496.8 ± 0.5 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No