Information card for entry 8101898

Structure parameters

• Chemical name: N,N'-bis(2-methyl-4-phenyl-5-tert-butylimidazo[1,5-b]pyridazin- 7-yl)ethylenediamine
• Formula: C36 H42 N8
• Calculated formula: C36 H42 N8
• Title of publication: Crystal structure of N,N'-bis(2-methyl-4-phenyl-5-tert-butylimidazo [1,5-b]pyridazin-7-yl)ethylenediamine, C~2~H~4~(NH)~2~(C~17~H~18~N~3~) ~2~
• Authors of publication: Irrgang, T.; Balireddi, S.; Karthikeyan, S.; Kempe, R.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 23 - 24
• a: 14.004 ± 0.003 Å
• b: 9.1644 ± 0.0018 Å
• c: 13.468 ± 0.003 Å
• α: 90°
• β: 109.3 ± 0.03°
• γ: 90°
• Cell volume: 1631.3 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No