Information card for entry 8107516

Structure parameters

• Common name: 3-(1'-deoxy-3',5'-O-dibenzy-<i>??</i>-D-ribosyl)adenine'
• Chemical name: 3-(1'-deoxy-3',5'-O-dibenzy-<i>??</i>-D-ribosyl)adenine
• Formula: C49 H52 Cl2 N10 O6
• Calculated formula: C49 H52 Cl2 N10 O6
• Title of publication: The crystal structure of 3-(1′-deoxy-3′,5′-O-dibenzy-β-d-ribosyl)adenine dichloromethane solvate, C49H52Cl2N10O6
• Authors of publication: Wang, Pingqiao; Zhu, Yunlong; Ding, Haixin; Huang, Haiyang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 635 - 637
• a: 12.2875 ± 0.0014 Å
• b: 8.3031 ± 0.001 Å
• c: 13.1242 ± 0.0015 Å
• α: 90°
• β: 100.064 ± 0.001°
• γ: 90°
• Cell volume: 1318.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No