Information card for entry 7160069

Structure parameters

• Formula: C2.46 H2.46 O0.31
• Calculated formula: C2.46154 H2.46154 O0.307692
• Title of publication: Potent pincer-zinc catalyzed homogeneous α-alkylation and Friedländer quinoline synthesis reaction of secondary alcohols/ketones with primary alcohols.
• Authors of publication: Jana, Debashis; Roy, Sima; Naskar, Srijita; Halder, Supriyo; Kanrar, Gopal; Pramanik, Kausikisankar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 31
• Pages of publication: 6393 - 6408
• a: 9.189 ± 0.0014 Å
• b: 5.6168 ± 0.0009 Å
• c: 24.833 ± 0.004 Å
• α: 90°
• β: 90.297 ± 0.006°
• γ: 90°
• Cell volume: 1281.7 ± 0.4 ų
• Cell temperature: 183.49 K
• Ambient diffraction temperature: 183.49 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No