Information card for entry 7135642

Structure parameters

• Common name: Chiral E-homoallylic alcohol benzoate derivative
• Chemical name: (1S,2R,E)-2-benzyl-1-phenylpent-3-en-1-yl 4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)benzoate
• Formula: C40 H35 N O4
• Calculated formula: C40 H35 N O4
• Title of publication: Cu-guanidine-catalysed asymmetric protoboration of internal 1,3-dienes for one-pot access to chiral homoallylic alcohols.
• Authors of publication: Zhang, Huangfeng; Zhang, Ai; Tang, Tao; Jin, Tao; Wang, Chengzhi; Qin, Yao; Ma, Xiaoyan; Tang, Jinghua; Liu, Jinyu; Ge, Yicen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 26
• Pages of publication: 6978 - 6982
• a: 5.2097 ± 0.0002 Å
• b: 11.8294 ± 0.0005 Å
• c: 56.908 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3507.1 ± 0.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No