Information card for entry 7133224

Structure parameters

• Chemical name: SC_3_52A_2_a
• Formula: C18 H13 N3 O2
• Calculated formula: C18 H13 N3 O2
• Title of publication: A solvent controlled regioselective synthesis of 2- and 4-substituted α-carbolines under palladium catalysis.
• Authors of publication: Chatterjee, Sarat; Khatun, Rousunara; Ali, Mahammad; Chowdhury, Chinmay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 58
• Pages of publication: 7427 - 7430
• a: 6.902 ± 0.0006 Å
• b: 13.8797 ± 0.0012 Å
• c: 16.3061 ± 0.0014 Å
• α: 66.241 ± 0.004°
• β: 89.878 ± 0.003°
• γ: 76.826 ± 0.003°
• Cell volume: 1385 ± 0.2 ų
• Cell temperature: 106 K
• Ambient diffraction temperature: 106 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: 0.101
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2987
• Weighted residual factors for all reflections included in the refinement: 0.3005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No