Information card for entry 2019045

Structure parameters

• Common name: <i>N</i>,<i>N</i>'-Bis[2-(<i>tert</i>-butyldimethylsiloxy)ethyl]ethylenediammonium dichloride
• Chemical name: 2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-7,10-diaza-3,14-disilahexadecane-7,10-diium dichloride
• Formula: C18 H46 Cl2 N2 O2 Si2
• Calculated formula: C18 H46 Cl2 N2 O2 Si2
• SMILES: C(O[Si](C)(C(C)(C)C)C)C[NH2+]CC[NH2+]CCO[Si](C)(C)C(C)(C)C.[Cl-].[Cl-]
• Title of publication: Hydrogen-bonding network of <i>N</i>,<i>N</i>'-bis[2-(<i>tert</i>-butyldimethylsiloxy)ethyl]ethylenediammonium dichloride
• Authors of publication: Wen, Mei-Feng; Lin, Bi-Ting; He, Chang-Shuai; Wu, Jian-Zhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: 787 - 789
• a: 6.2088 ± 0.0004 Å
• b: 6.4128 ± 0.0006 Å
• c: 18.7953 ± 0.001 Å
• α: 88.989 ± 0.002°
• β: 87.64 ± 0.002°
• γ: 61.736 ± 0.002°
• Cell volume: 658.57 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes