Information card for entry 7157426

Structure parameters

• Formula: C25 H29 N O4
• Calculated formula: C25 H29 N O4
• Title of publication: Chiral diene-promoted room temperature conjugate arylation: highly enantioselective synthesis of substituted chiral phenylalanine derivatives and α,α-di(arylmethyl)acetates.
• Authors of publication: Chen, Jian-Ping; Xu, Ming-Hua
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 4569 - 4574
• a: 9.0309 ± 0.0004 Å
• b: 13.028 ± 0.0005 Å
• c: 19.9637 ± 0.0008 Å
• α: 99.064 ± 0.002°
• β: 98.729 ± 0.002°
• γ: 91.614 ± 0.002°
• Cell volume: 2289.36 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.072
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No