Information card for entry 1569443

Structure parameters

• Formula: C23 H24 N12 O Si
• Calculated formula: C23 H24 N12 O Si
• 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: 15.9611 ± 0.0002 Å
• b: 21.1674 ± 0.0003 Å
• c: 22.6832 ± 0.0003 Å
• α: 90°
• β: 97.74 ± 0.001°
• γ: 90°
• Cell volume: 7593.81 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No