Information card for entry 1568529

Structure parameters

• Formula: C23 H21 N O5
• Calculated formula: C23 H21 N O5
• Title of publication: Distal <i>meta</i>-C-H functionalization of α-substituted cinnamates.
• Authors of publication: Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5880 - 5886
• a: 7.7248 ± 0.0008 Å
• b: 23.0566 ± 0.0019 Å
• c: 12.1391 ± 0.0013 Å
• α: 90°
• β: 103.515 ± 0.009°
• γ: 90°
• Cell volume: 2102.2 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No