Information card for entry 7227604

Structure parameters

• Formula: C24 H23 N3 O
• Calculated formula: C24 H23 N3 O
• SMILES: O=C(N1N=C(CN(C1c1ccccc1)Cc1ccccc1)c1ccccc1)C
• Title of publication: Construction of 2,3,4,5-tetrahydro-1,2,4-triazines via [4 + 2] cycloaddition of α-halogeno hydrazones to imines
• Authors of publication: Zhao, Hong-Wu; Pang, Hai-Liang; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Chen, Xiao-Qin; Song, Xiu-Qing; Feng, Ning-Ning; Du, Juan
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 15
• Pages of publication: 9264
• a: 13.3996 ± 0.0018 Å
• b: 12.191 ± 0.002 Å
• c: 22.958 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3750.3 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No