Information card for entry 7124580

Structure parameters

• Formula: C11 H21 N6 O5 P
• Calculated formula: C11 H21 N6 O5 P
• Title of publication: Separation of planar rotamers through intramolecular hydrogen bonding in polysubstituted 5-nitrosopyrimidines.
• Authors of publication: Čechová, L; Procházková, E; Císařová, I; Dračínský, M; Janeba, Z.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 94
• Pages of publication: 14892 - 14895
• a: 15.1845 ± 0.0004 Å
• b: 13.7904 ± 0.0004 Å
• c: 16.3311 ± 0.0004 Å
• α: 90°
• β: 104.673 ± 0.001°
• γ: 90°
• Cell volume: 3308.2 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No