Information card for entry 4518535

Structure parameters

• Formula: C25 H47 Cl N O3 P S
• Calculated formula: C25 H47 Cl N O3 P S
• Title of publication: Zwitterion-Induced Organic‒Metal Hybrid Catalysis in Aerobic Oxidation
• Authors of publication: Hu, Rong-Bin; Lam, Ying-Pong; Ng, Wing-Hin; Wong, Chun-Yuen; Yeung, Ying-Yeung
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 3498 - 3506
• a: 8.3926 ± 0.0004 Å
• b: 23.5709 ± 0.0011 Å
• c: 14.3271 ± 0.0007 Å
• α: 90°
• β: 92.6796 ± 0.0014°
• γ: 90°
• Cell volume: 2831.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No