Information card for entry 7135312

Structure parameters

• Formula: C31 H24 Br N2 O4
• Calculated formula: C31 H24 Br N2 O4
• Title of publication: Atroposelective Synthesis of Barbiturate Substituted Chiral Styrenes
• Authors of publication: Devi, Manju; Jain, Gyanshree; Gupta, Navya; Ansari, Najmuddin; Singh, Ravi Prakash
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 9.214 ± 0.003 Å
• b: 14.22 ± 0.005 Å
• c: 11.153 ± 0.004 Å
• α: 90°
• β: 111.181 ± 0.011°
• γ: 90°
• Cell volume: 1362.6 ± 0.8 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 0.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No