Information card for entry 7235596

Structure parameters

• Formula: C15 H15 N5 O S
• Calculated formula: C15 H15 N5 O S
• Title of publication: Stereospecific alkylation of substituted adenines by the Mitsunobu coupling reaction under microwave-assisted conditions
• Authors of publication: García-Rubiño, M. E.; Núñez-Carretero, M. C.; Choquesillo-Lazarte, D.; García-Ruiz, J. M.; Madrid, Yolanda; Campos, J. M.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 43
• Pages of publication: 22425
• a: 6.53 ± 0.003 Å
• b: 31.767 ± 0.016 Å
• c: 14.249 ± 0.007 Å
• α: 90°
• β: 94.555 ± 0.012°
• γ: 90°
• Cell volume: 2946 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No