Information card for entry 7229661

Structure parameters

• Formula: C24 H22 Cl N3 O2
• Calculated formula: C23.998 H21.996 Cl N3 O2
• Title of publication: 1,3-Dipolar [3 + 3] cycloaddition of α-halohydroxamate-based azaoxyallyl cations with hydrazonoyl chloride-derived nitrile imines
• Authors of publication: Zhao, Hong-Wu; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Song, Xiu-Qing; Chen, Xiao-Qin; Pang, Hai-Liang; Du, Juan; Feng, Ning-Ning
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 87
• Pages of publication: 55106
• a: 7.9332 ± 0.0014 Å
• b: 10.9116 ± 0.0018 Å
• c: 12.9665 ± 0.0019 Å
• α: 96.881 ± 0.004°
• β: 92.036 ± 0.002°
• γ: 109.013 ± 0.005°
• Cell volume: 1050.2 ± 0.3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.0399
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0905
• 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: Yes
• Has Fobs: No