Information card for entry 7154914

Structure parameters

• Formula: C40 H35 N3 O10
• Calculated formula: C40 H35 N3 O10
• 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: 14.2003 ± 0.0003 Å
• b: 7.6452 ± 0.0002 Å
• c: 17.2049 ± 0.0004 Å
• α: 90°
• β: 113.49 ± 0.001°
• γ: 90°
• Cell volume: 1713.05 ± 0.07 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No