Information card for entry 2222797

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-[(2,3,5,6-Tetramethyl-<i>p</i>-phenylene)dimethylene]bis[2- chloro-<i>N</i>-(2-chloroethyl)ethanamine]
• Formula: C20 H32 Cl4 N2
• Calculated formula: C20 H32 Cl4 N2
• SMILES: ClCCN(Cc1c(C)c(C)c(c(c1C)C)CN(CCCl)CCCl)CCCl
• Title of publication: <i>N</i>,<i>N</i>'-[(2,3,5,6-Tetramethyl-<i>p</i>-phenylene)dimethylene]bis[2-chloro-<i>N</i>-(2-chloroethyl)ethanamine]
• Authors of publication: Wang, Guang-Zhou; Zhuang, Ya-Yun; Zhou, Cheng-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1850
• a: 13.6694 ± 0.0014 Å
• b: 9.751 ± 0.001 Å
• c: 8.3997 ± 0.0008 Å
• α: 90°
• β: 93.695 ± 0.002°
• γ: 90°
• Cell volume: 1117.27 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes