Information card for entry 4512227

Structure parameters

• Formula: C50 H62 N4 O36
• Calculated formula: C50 H62 N4 O36
• SMILES: C(=O)(c1ncn([C@H]2[C@@H]([C@@H]([C@@H](CO)O2)O)O)n1)N.C(=O)(c1cc(cc(c1)O)O)O.C(=O)(c1cc(cc(c1)O)O)O.C(=O)(c1cc(cc(c1)O)O)O.C(=O)(c1cc(cc(c1)O)O)O.C(=O)(c1cc(cc(c1)O)O)O.C(=O)(c1cc(cc(c1)O)O)O.O.O.O.O.O.O.O
• Title of publication: Pharmaceutical Cocrystals of Ribavirin with Reduced Release Rates
• Authors of publication: Chen, Jia-Mei; Li, Song; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6399
• a: 9.44471 ± 0.00017 Å
• b: 10.38896 ± 0.00019 Å
• c: 15.6489 ± 0.0003 Å
• α: 77.4892 ± 0.0015°
• β: 72.8378 ± 0.0016°
• γ: 77.6285 ± 0.0016°
• Cell volume: 1413.55 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No