Information card for entry 2016331

Structure parameters

• Chemical name: 1,3-Bis[2-(Dimethylaminomethyl)phenyl]triselenide
• Formula: C18 H24 N2 Se3
• Calculated formula: C18 H24 N2 Se3
• SMILES: c1(c(cccc1)CN(C)C)[Se][Se][Se]c1c(cccc1)CN(C)C
• Title of publication: 1,3-Bis[2-(dimethylaminomethyl)phenyl]triselenide
• Authors of publication: Kulcsar, Monika; Silvestru, Anca; Cziple, Florentina
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o701 - o703
• a: 13.5307 ± 0.0012 Å
• b: 9.8246 ± 0.0009 Å
• c: 16.0701 ± 0.0014 Å
• α: 90°
• β: 111.013 ± 0.002°
• γ: 90°
• Cell volume: 1994.2 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes