Information card for entry 1569442

Structure parameters

• Formula: C30 H38 N18 O Si2
• Calculated formula: C30 H38 N18 O Si2
• Title of publication: Molecular Structures and Intermolecular Hydrogen Bonding of Silylated 2-Aminopyrimidines
• Authors of publication: Herbig, Marcus; Kroke, Edwin; Wagler, Jörg
• Journal of publication: Crystals
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 990
• a: 10.064 ± 0.0003 Å
• b: 11.1921 ± 0.0003 Å
• c: 18.6757 ± 0.0005 Å
• α: 72.898 ± 0.002°
• β: 89 ± 0.002°
• γ: 63.346 ± 0.002°
• Cell volume: 1780.7 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No