Information card for entry 7154913

Structure parameters

• Formula: C19.35 H24.7 N2 O8
• Calculated formula: C19.35 H24.7 N2 O8
• Title of publication: Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.
• Authors of publication: Giacometti, Robert D.; Salinas, Juan C.; Østergaard, Michael E; Swayze, Eric E.; Seth, Punit P.; Hanessian, Stephen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2034 - 2040
• a: 7.1213 ± 0.0003 Å
• b: 8.9288 ± 0.0003 Å
• c: 29.9909 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1906.96 ± 0.13 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 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: 0.0436
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No