Information card for entry 8101786

Structure parameters

• Chemical name: 1-chloromethyl-1,4,7-trimethyl-triazonan-1-ium chloride dichloromethane solvate
• Formula: C11 H25 Cl4 N3
• Calculated formula: C11 H25 Cl4 N3
• Title of publication: Crystal structures of dichloromethane solvate and ethanol solvate of 1-chloromethyl-1,4,7-trimethyltriazonan-1-ium chloride, (C~10~H~23~N~3~Cl) Cl · CH~2~Cl~2~, (C~10~H~23~N~3~Cl)Cl · C~2~H~5~OH
• Authors of publication: R. D. Ernst; B. G. Harvey; O. J. Oteri; A. M. Arif
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 373 - 375
• a: 9.4241 ± 0.0003 Å
• b: 26.1147 ± 0.0016 Å
• c: 13.5769 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3341.4 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: C 2 c b
• Hall space group symbol: C -2ac 2
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No