Information card for entry 8106293

Structure parameters

• Formula: C13 H14 Cl N3
• Calculated formula: C13 H13.75 Cl N3
• Title of publication: The crystal structure of 2-(tert-butyl)-4-chloro-6-phenyl-1,3,5-triazine, C13H14Cl1N3
• Authors of publication: Song, Xiao; Tang, Zhishu; Zuo, Zhenyu; Duan, Jinao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 779 - 781
• a: 6.7623 ± 0.0002 Å
• b: 21.1431 ± 0.0006 Å
• c: 8.8708 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1268.31 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 28
• Hermann-Mauguin space group symbol: P m a 2
• Hall space group symbol: P 2 -2a
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No