Information card for entry 2014545

Structure parameters

• Common name: Trityl losartan
• Chemical name: 2-butyl-4-chloro-3-[2'-(2-trityl-2H-tetrazol-5-yl)biphenyl-4-ylmethyl]- 1H-imidazol-5-ylmethanol
• Formula: C41 H37 Cl N6 O
• Calculated formula: C41 H37 Cl N6 O
• SMILES: CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1)CO)Cl
• Title of publication: Trityl losartan
• Authors of publication: Sieroń, Lesław; Nagaraj, B.; Prabhuswamy, B.; Yathirajan, H. S.; Nagaraja, P.; Narasegowda, R. S.; Gaonkar, S. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o821 - o823
• a: 8.6962 ± 0.0003 Å
• b: 20.5493 ± 0.0006 Å
• c: 21.7392 ± 0.0005 Å
• α: 69.597 ± 0.002°
• β: 88.587 ± 0.002°
• γ: 78.962 ± 0.003°
• Cell volume: 3569.99 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes