Information card for entry 2003714

Structure parameters

• Chemical name: 6-butyl-2-methyl-3-[[3-(methoxycarbonyl)thien-2-yl]methyl]- -5-[[2'-(1H-tetrazol-5-yl)]][1,1'-biphenyl)-4-yl]methyl]pyrimidin-4(3H)-one
• Formula: C30 H30 N6 O3 S
• Calculated formula: C30 H30 N6 O3 S
• Title of publication: A New Non-Peptide Angiotensin II Receptor Antagonist
• Authors of publication: Destro, R.; Soave, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1383 - 1385
• a: 30.328 ± 0.003 Å
• b: 15.279 ± 0.002 Å
• c: 12.499 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5792 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2153
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections: 0.153
• Weighted residual factors for significantly intense reflections: 0.1281
• Goodness-of-fit parameter for all reflections: 0.903
• Goodness-of-fit parameter for significantly intense reflections: 1.279
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No