Information card for entry 2004795

Structure parameters

• Chemical name: 2,8-dimethyl-5,11-dipropyl-4,5,6,10,11,12-hexahydro-imidazo[4,5-h]- imidazo[4,5-c][1,6]diazecine
• Formula: C18 H42 N6 O6
• Calculated formula: C18 H42 N6 O6
• Title of publication: 2,8-Dimethyl-5,11-dipropyl-1,4,5,6,7,10,11,12-octahydroimidazo[4,5-<i>h</i>]imidazo[4,5-<i>c</i>][1,6]diazecine Hexahydrate
• Authors of publication: Mendoza-Díaz, G.; Driessen, W. L.; Reedijk, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 960 - 962
• a: 8.286 ± 0.002 Å
• b: 6.824 ± 0.004 Å
• c: 11.755 ± 0.004 Å
• α: 110.9 ± 0.04°
• β: 92.05 ± 0.02°
• γ: 92.37 ± 0.04°
• Cell volume: 619.5 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for all reflections: 1.781
• Goodness-of-fit parameter for significantly intense reflections: 2.469
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No