Information card for entry 7238721

Structure parameters

• Formula: C20 H26 N4 O11
• Calculated formula: C20 H26 N4 O11
• Title of publication: Synthesis of 6,6′-(S)-cyclo-2′-deoxyuridine featuring a unique Barbier-style cyclization
• Authors of publication: Theile, Christopher S.; McLaughlin, Larry W.
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 31
• Pages of publication: 11678
• a: 8.8443 ± 0.0006 Å
• b: 12.9861 ± 0.0009 Å
• c: 18.029 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2070.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0261
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No