Information card for entry 7100662

Structure parameters

• Formula: C16 H18 N2 O5
• Calculated formula: C16 H17 N2 O5
• Title of publication: Regioselective and enantiospecific rhodium-catalyzed allylic amination with thymine: synthesis of a new conformationally rigid nucleoside
• Authors of publication: Evans, P. Andrew; Lai, Kwong Wah; Zhang, Hai-Ren; Huffman, John C.
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 6.2583 ± 0.0007 Å
• b: 7.3007 ± 0.0008 Å
• c: 16.5882 ± 0.0016 Å
• α: 90°
• β: 98.717 ± 0.003°
• γ: 90°
• Cell volume: 749.16 ± 0.14 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No