Information card for entry 4023585

Structure parameters

• Formula: C14 H18 N2 O5
• Calculated formula: C14 H18 N2 O5
• SMILES: [C@@H]1(C[C@@H]([C@@H](CO)O1)O)n1c(=O)nc2c(c1)cc(CCC)o2
• Title of publication: Zinc-Catalyzed Cycloisomerizations. Synthesis of Substituted Furans and Furopyrimidine Nucleosides
• Authors of publication: Adam Sniady; Audrey Durham; Marco S. Morreale; Andrzej Marcinek; Slawomir Szafert; Tadeusz Lis; Krystyna R. Brzezinska; Takanori Iwasaki; Takashi Ohshima; Kazushi Mashima; Roman Dembinski
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5881 - 5889
• a: 5.684 ± 0.002 Å
• b: 6.682 ± 0.002 Å
• c: 36.02 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1368.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No