Information card for entry 7249857

Structure parameters

• Formula: C9 H15 N3 O8.5 P
• Calculated formula: C9 H15 N3 O8.5 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: 4.7974 ± 0.0008 Å
• b: 8.2932 ± 0.001 Å
• c: 16.861 ± 0.003 Å
• α: 101.48 ± 0.02°
• β: 92.04 ± 0.02°
• γ: 95.55 ± 0.02°
• Cell volume: 653.29 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No