Information card for entry 2005876

Structure parameters

• Chemical name: 1,2-bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine
• Formula: C25 H35 N3 O
• Calculated formula: C25 H35 N3 O
• SMILES: c1(c(cccc1CC)CC)/N=C(Nc1c(cccc1CC)CC)/N1CCOCC1
• Title of publication: 1,2-Bis(2,6-diethylphenyl)-3,3-(oxydiethyl)guanidine
• Authors of publication: Sudha, L.; Subramanian, K.; Senthil Selvan, J.; Steiner, Th.; Koellner, G.; Ramdas, K.; Srinivasan, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 88 - 90
• a: 14.978 ± 0.003 Å
• b: 16.703 ± 0.003 Å
• c: 18.847 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4715.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.1331
• Weighted residual factors for significantly intense reflections: 0.1268
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.123
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No