Information card for entry 7134819

Structure parameters

• Chemical name: KN_TB_TFA_C2_1
• Formula: C27.5 H27 N O2 P
• Calculated formula: C27 H24 N O P
• 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: 8.5764 ± 0.0005 Å
• b: 9.5269 ± 0.0007 Å
• c: 15.3568 ± 0.0011 Å
• α: 100.161 ± 0.002°
• β: 100.588 ± 0.002°
• γ: 102.767 ± 0.002°
• Cell volume: 1171.67 ± 0.14 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No