Information card for entry 7159976

Structure parameters

• Formula: C42 H63 Cl N4 O5 Si3
• Calculated formula: C42 H63 Cl N4 O5 Si3
• Title of publication: Purinyl <i>N</i>-directed aroylation of 6-arylpurine ribo- and 2'-deoxyribonucleosides, and mechanistic insights.
• Authors of publication: Lakshman, Mahesh K.; Malinchak, Casina T.; Shank, Nathaniel; Neary, Michelle C.; Stahl, Lothar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 33
• Pages of publication: 6718 - 6726
• a: 13.9738 ± 0.0007 Å
• b: 7.6693 ± 0.0004 Å
• c: 22.8201 ± 0.0014 Å
• α: 90°
• β: 106.684 ± 0.004°
• γ: 90°
• Cell volume: 2342.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.3283
• Weighted residual factors for all reflections included in the refinement: 0.3493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No