Information card for entry 7249853

Structure parameters

• Formula: C9 H17 N3 O9.5 P
• Calculated formula: C9 H17 N3 O9.5 P
• Title of publication: Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates
• Authors of publication: Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1174 - 1184
• a: 8.4629 ± 0.0016 Å
• b: 35.212 ± 0.007 Å
• c: 4.8658 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1450 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No