Information card for entry 2203267

Structure parameters

• Chemical name: N-(8-Quinolyl)-o-(1,1,3,3-tetramethylguanidino)phenylamine
• Formula: C20 H23 N5
• Calculated formula: C20 H23 N5
• SMILES: n1c2c(ccc1)cccc2Nc1ccccc1N=C(N(C)C)N(C)C
• Title of publication: <i>N</i>-(8-Quinolyl)-<i>o</i>-(1,1,3,3-tetramethylguanidino)phenylamine
• Authors of publication: Seshadri, Tarimala; Flörke, Ulrich; Henkel, Gerald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o401 - o402
• a: 9.2842 ± 0.0005 Å
• b: 12.2427 ± 0.0007 Å
• c: 16.349 ± 0.0009 Å
• α: 90°
• β: 101.463 ± 0.001°
• γ: 90°
• Cell volume: 1821.22 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes