Information card for entry 8102046

Structure parameters

• Chemical name: N,N,N',N',N",N"-hexakis-(2-methylallyl)-[1,3,5]-triazin-2,4,6-triamine
• Formula: C27 H42 N6
• Calculated formula: C27 H42 N6
• Title of publication: Crystal structure of N,N,N',N',N'',N''-hexakis(2-methylallyl)-[1,3, 5]-triazin-2,4,6-triamine, C~27~H~42~N~6~
• Authors of publication: Ricken, S.; Koç, F.; Schürmann, M.; Preut, H.; Eilbracht, P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 455 - 456
• a: 9.7786 ± 0.0013 Å
• b: 9.7786 ± 0.0013 Å
• c: 30.975 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2961.9 ± 0.7 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.2658
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No