Information card for entry 7161102

Structure parameters

• Formula: C34 H31 Cl N5 O3
• Calculated formula: C34 H31 Cl N5 O3
• Title of publication: Access to arylurazoles bearing both central and C-N axial chirality via asymmetric desymmetrization catalyzed by chiral phosphoric acid
• Authors of publication: Wu, Wenhui; Li, Wenkai; Xu, Yongqiang; Zhou, Yuhan; Qu, Jingping; Wang, Baomin
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 8.5157 ± 0.0011 Å
• b: 12.5173 ± 0.0016 Å
• c: 13.9114 ± 0.0017 Å
• α: 90.342 ± 0.003°
• β: 91.011 ± 0.004°
• γ: 97.382 ± 0.004°
• Cell volume: 1470.3 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0871
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No