Information card for entry 7155930

Structure parameters

• Formula: C38 H41 N5 O8
• Calculated formula: C38 H41 N5 O8
• SMILES: [C@@H]1([C@H]2N3[C@](CO2)(CO[C@@H]3[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1)COC(=O)C)n1cnc2c(=O)[nH]cnc12.C(C)(C)O
• Title of publication: Tricyclanos: conformationally constrained nucleoside analogues with a new heterotricycle obtained from a d-ribofuranose unit.
• Authors of publication: Kicsák, Máté; Mándi, Attila; Varga, Szabolcs; Herczeg, Mihály; Batta, Gyula; Bényei, Attila; Borbás, Anikó; Herczegh, Pál
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 393 - 401
• a: 10.8476 ± 0.0003 Å
• b: 17.322 ± 0.0004 Å
• c: 37.2345 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6996.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0862
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No