Information card for entry 2240879

Structure parameters

• Chemical name: 1,2-Bis(2,6-dimethylphenyl)-3-phenylguanidine
• Formula: C23 H25 N3
• Calculated formula: C23 H25 N3
• SMILES: N(c1c(cccc1C)C)C(=N\c1c(cccc1C)C)/Nc1ccccc1
• Title of publication: Crystal structure of 1,2-bis(2,6-dimethylphenyl)-3-phenylguanidine
• Authors of publication: Han, Hongfei; Guo, Zhiqiang; Wei, Xuehong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o506 - o507
• a: 19.003 ± 0.007 Å
• b: 7.924 ± 0.003 Å
• c: 13.056 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1966 ± 1.3 ų
• Cell temperature: 194 ± 2 K
• Ambient diffraction temperature: 194 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes