Information card for entry 2216302

Structure parameters

• Chemical name: 1,1,3,3-Tetramethyl-2-[2-(tritylsulfanyl)ethyl]guanidine
• Formula: C26 H31 N3 S
• Calculated formula: C26 H31 N3 S
• SMILES: S(CCN=C(N(C)C)N(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 1,1,3,3-Tetramethyl-2-[2-(tritylsulfanyl)ethyl]guanidine
• Authors of publication: Neuba, Adam; Flörke, Ulrich; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4683 - o4683
• a: 11.7059 ± 0.0006 Å
• b: 13.8102 ± 0.0007 Å
• c: 14.2886 ± 0.0007 Å
• α: 90°
• β: 101.063 ± 0.001°
• γ: 90°
• Cell volume: 2267 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0635
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes