Information card for entry 7117456

Structure parameters

• Chemical name: 2-Methylene-6-oxo-1,2,3,4-tetrahydro-6H-pyrido [2,1-a]isoindole-10b-carboxylic acid tert-butylamide
• Formula: C18 H22 N2 O2
• Calculated formula: C18 H22 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: 9.1496 ± 0.0013 Å
• b: 9.3085 ± 0.0013 Å
• c: 19.945 ± 0.003 Å
• α: 90°
• β: 95.325 ± 0.002°
• γ: 90°
• Cell volume: 1691.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1136
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No