Information card for entry 2223195

Structure parameters

• Chemical name: (<i>Z</i>)-2-Phenyl-3-pivaloyl-1,1-dipropylguanidine
• Formula: C18 H29 N3 O
• Calculated formula: C18 H29 N3 O
• SMILES: N(C(=N\c1ccccc1)/N(CCC)CCC)C(=O)C(C)(C)C
• Title of publication: (<i>Z</i>)-2-Phenyl-3-pivaloyl-1,1-dipropylguanidine
• Authors of publication: Said, Muhammad; Murtaza, Ghulam; Freisinger, Eva; Anwar, Saeed; Rauf, Abdur
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2073 - o2074
• a: 9.898 ± 0.005 Å
• b: 12.648 ± 0.005 Å
• c: 15.126 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1893.6 ± 1.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes