Information card for entry 7134818

Structure parameters

• Chemical name: KN_TB_TFA_C1
• Formula: C38 H44 N4 O2
• Calculated formula: C38 H44 N4 O2
• Title of publication: Chemoselective transfer hydrogenation and transfer deuteration of substituted quinolines using Hantzsch ester and D₂O.
• Authors of publication: Bhatt, Tarun; Dutta, Tonmoy; Yaswanth, Kokkiripati; Kalevaru, Venkata Narayana; Wohlrab, Sebastian; Natte, Kishore
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 66
• Pages of publication: 12305 - 12308
• a: 17.6633 ± 0.0015 Å
• b: 8.3253 ± 0.0008 Å
• c: 21.863 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3215 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No