Information card for entry 7156156

Structure parameters

• Formula: C15 H24 N4 O6 S
• Calculated formula: C15 H24 N4 O6 S
• Title of publication: C5-Morpholinomethylation of N1-sulfonylcytosines by a one-pot microwave assisted Mannich reaction.
• Authors of publication: Matić, Josipa; Nekola, Irena; Višnjevac, Aleksandar; Kobetić, Renata; Martin-Kleiner, Irena; Kralj, Marijeta; Žinić, Biserka
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 2678 - 2687
• a: 6.5612 ± 0.0003 Å
• b: 9.2289 ± 0.0004 Å
• c: 15.5715 ± 0.0007 Å
• α: 95.807 ± 0.004°
• β: 94.598 ± 0.004°
• γ: 98.71 ± 0.004°
• Cell volume: 922.86 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No