Information card for entry 1503342

Structure parameters

• Formula: C13 H16 Cl N5 O2
• Calculated formula: C13 H16 Cl N5 O2
• SMILES: [Cl-].O=C1N(C(=O)C(C1(C)C)(C)C)c1ncnc2[nH+]c[nH]c12
• Title of publication: Tetramethylsuccinimide as a directing/protecting group in purine glycosylations.
• Authors of publication: Arico, Joseph W.; Calhoun, Amy K.; Salandria, Kerry J.; McLaughlin, Larry W.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 120 - 122
• a: 14.705 ± 0.008 Å
• b: 7.976 ± 0.004 Å
• c: 12.332 ± 0.007 Å
• α: 90°
• β: 99.395 ± 0.007°
• γ: 90°
• Cell volume: 1427 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No