Information card for entry 1569440

Structure parameters

• Formula: C7 H13 N3 Si
• Calculated formula: C7 H13 N3 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: 9.4337 ± 0.0003 Å
• b: 19.5412 ± 0.0006 Å
• c: 10.7349 ± 0.0003 Å
• α: 90°
• β: 100.794 ± 0.003°
• γ: 90°
• Cell volume: 1943.92 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• 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: 0.0495
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No