Information card for entry 1529303

Structure parameters

• Formula: C26 H26 F7.5 N6 Na0.5 O9
• Calculated formula: C26 H26 F7.5 N6 Na0.5 O9
• Title of publication: Small molecule antagonists of cell-surface heparan sulfate and heparin‒protein interactions
• Authors of publication: Weiss, Ryan J.; Gordts, Philip L. S. M.; Le, Dzung; Xu, Ding; Esko, Jeffrey D.; Tor, Yitzhak
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5984
• a: 14.0292 ± 0.0011 Å
• b: 22.3313 ± 0.0016 Å
• c: 9.5059 ± 0.001 Å
• α: 90°
• β: 92.95 ± 0.002°
• γ: 90°
• Cell volume: 2974.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1943
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.2863
• Weighted residual factors for all reflections included in the refinement: 0.3458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No