Information card for entry 7130924

Structure parameters

• Formula: C31 H28 N4 O4
• Calculated formula: C31 H28 N4 O4
• Title of publication: Azobenzene-based unnatural amino acid scaffolds via Pd(II)-catalyzed C(sp3)-H arylation strategy
• Authors of publication: Tomar, Radha; Suwasia, Sonam; Roychoudhury, Angshuman; Venkataramani, Sugumar; Babu, Srinivasarao Arulananda
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.877 ± 0.0003 Å
• b: 40.4437 ± 0.0013 Å
• c: 8.8989 ± 0.0003 Å
• α: 90°
• β: 102.27 ± 0.004°
• γ: 90°
• Cell volume: 2770.21 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1334
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No