Information card for entry 4038061

Structure parameters

• Formula: C19 H23 N7 O2 S
• Calculated formula: C19 H23 N7 O2 S
• Title of publication: Sulfonyl Group Dance: A Tool for the Synthesis of 6-Azido-2-sulfonylpurine Derivatives.
• Authors of publication: Zaķis, Ja Nis Miķelis; Ozols, Kristers; Novosjolova, Irina; Vilšķe Rsts, Reinis; Mishnev, Anatoly; Turks, Ma Ris
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 7
• Pages of publication: 4753 - 4771
• a: 16.5513 ± 0.0001 Å
• b: 9.6657 ± 0.0001 Å
• c: 25.6444 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4102.59 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No