Information card for entry 4037067

Structure parameters

• Formula: C23 H19 N O
• Calculated formula: C23 H19 N O
• Title of publication: Stereoselective Synthesis of Ezetimibe via Cross-Metathesis of Homoallylalcohols and α-Methylidene-β-Lactams.
• Authors of publication: Humpl, Marek; Tauchman, Jiří; Topolovčan, Nikola; Kretschmer, Jan; Hessler, Filip; Císařová, Ivana; Kotora, Martin; Veselý, Jan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 17
• Pages of publication: 7692 - 7699
• a: 5.8199 ± 0.0004 Å
• b: 8.0405 ± 0.0005 Å
• c: 18.4354 ± 0.0011 Å
• α: 87.091 ± 0.002°
• β: 88.121 ± 0.002°
• γ: 89.793 ± 0.002°
• Cell volume: 861.11 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No