Information card for entry 1568530

Structure parameters

• Formula: C27 H23 N O5 S
• Calculated formula: C27 H23 N O5 S
• 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: 8.2408 ± 0.0005 Å
• b: 10.2565 ± 0.0005 Å
• c: 15.3407 ± 0.0007 Å
• α: 88.527 ± 0.004°
• β: 77.996 ± 0.004°
• γ: 72.445 ± 0.005°
• Cell volume: 1208.25 ± 0.12 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No