Information card for entry 4518047

Structure parameters

• Formula: C13 H19 Cl2 N3 O5
• Calculated formula: C13 H19 Cl2 N3 O5
• Title of publication: Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside
• Authors of publication: Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe
• Journal of publication: ACS Omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 38
• Pages of publication: 24746 - 24753
• a: 7.0716 ± 0.0003 Å
• b: 14.82 ± 0.0004 Å
• c: 15.8935 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1665.66 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No