Information card for entry 2214381

Structure parameters

• Chemical name: 2-Chloro-4,6-bis(1,1,3,3-tetramethylbutylamino)-s-triazine
• Formula: C19 H36 Cl N5
• Calculated formula: C19 H36 Cl N5
• SMILES: Clc1nc(nc(n1)NC(CC(C)(C)C)(C)C)NC(CC(C)(C)C)(C)C
• Title of publication: 2-Chloro-4,6-bis(1,1,3,3-tetramethylbutylamino)-<i>s</i>-triazine
• Authors of publication: Fan-Yong Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3327 - o3327
• a: 11.9729 ± 0.0018 Å
• b: 16.584 ± 0.002 Å
• c: 22.581 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4483.7 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1633
• 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: Yes
• Has Fobs: No