Information card for entry 7117455

Structure parameters

• Chemical name: 2-Methyl-5-oxo-3H,5H-pyrrolo [2,1-a]isoindole-9b-carboxylic acid tert-butylamide
• Formula: C17 H20 N2 O2
• Calculated formula: C17 H20 N2 O2
• Title of publication: Ugi-derived dehydroalanines as a pivotal template in the diversity oriented synthesis of aza-polyheterocycles.
• Authors of publication: García-González, Ma Carmen; Hernández-Vázquez, Eduardo; Gordillo-Cruz, Raúl E; Miranda, Luis D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 58
• Pages of publication: 11669 - 11672
• a: 9.074 ± 0.002 Å
• b: 9.586 ± 0.002 Å
• c: 10.271 ± 0.002 Å
• α: 105.491 ± 0.004°
• β: 97.554 ± 0.004°
• γ: 108.975 ± 0.004°
• Cell volume: 790.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0941
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No