Information card for entry 7125865

Structure parameters

• Chemical name: Methyl 3-(1-oxo-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)propanoate
• Formula: C15 H16 N2 O3
• Calculated formula: C15 H16 N2 O3
• Title of publication: N-Heterocyclic carbene (NHC)-catalyzed tandem imine umpolung-aza-Michael addition-oxidation of β-carboline cyclic imines.
• Authors of publication: Satyam, Killari; Harish, Battu; Nanubolu, Jagadeesh Babu; Suresh, Surisetti
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 18
• Pages of publication: 2803 - 2806
• a: 12.777 ± 0.008 Å
• b: 5.986 ± 0.003 Å
• c: 17.896 ± 0.007 Å
• α: 90°
• β: 93.909 ± 0.015°
• γ: 90°
• Cell volume: 1365.6 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No