Information card for entry 7247643

Structure parameters

• Chemical name: N3-protonated Cytidine nitrate
• Formula: C9 H14 N4 O8
• Calculated formula: C9 H14 N4 O8
• SMILES: O1[C@@H]([C@@H](O)[C@@H](O)[C@@H]1n1c(=O)[nH+]c(cc1)N)CO.O=N(=O)[O-]
• Title of publication: A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine
• Authors of publication: Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 47
• Pages of publication: 6549 - 6555
• a: 7.712 ± 0.0015 Å
• b: 7.481 ± 0.0015 Å
• c: 11.062 ± 0.002 Å
• α: 90°
• β: 108.44 ± 0.03°
• γ: 90°
• Cell volume: 605.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No