Information card for entry 2004777

Structure parameters

• Chemical name: 2-butyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]- 5-phenyl-6-dimethoxymethyl-1H-imidazopyridine
• Formula: C33 H33 N7 O2
• Calculated formula: C33 H33 N7 O2
• SMILES: n1(c(nc2cc(c(nc12)C(OC)OC)c1ccccc1)CCCC)Cc1ccc(cc1)c1ccccc1c1nnn[nH]1
• Title of publication: A Non-Peptide Angiotensin II Receptor Antagonist: 2-Butyl-6-dimethoxymethyl-5-phenyl-1-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-1<i>H</i>-imidazo[5,4-<i>b</i>]pyridine
• Authors of publication: Shin, W.; Yoon, T.-S.; Yoo, S. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1019 - 1022
• a: 20.738 ± 0.007 Å
• b: 9.791 ± 0.003 Å
• c: 30.251 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6142 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.2565
• Residual factor for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections: 0.3363
• Weighted residual factors for significantly intense reflections: 0.2575
• Goodness-of-fit parameter for all reflections: 1.327
• Goodness-of-fit parameter for significantly intense reflections: 1.824
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No