Information card for entry 2225445

Structure parameters

• Chemical name: 1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl 3-{[2'-(2-ethyl-2<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-2-oxo-2,3-dihydro-1<i>H</i>-benzimidazole-4-carboxylate
• Formula: C33 H34 N6 O6
• Calculated formula: C33 H34 N6 O6
• SMILES: O(C1CCCCC1)C(=O)OC(OC(=O)c1cccc2[nH]c(=O)n(c12)Cc1ccc(cc1)c1ccccc1c1nnn(n1)CC)C
• Title of publication: 1-{[(Cyclohexyloxy)carbonyl]oxy}ethyl 3-{[2'-(2-ethyl-2<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-2-oxo-2,3-dihydro-1<i>H</i>-benzimidazole-4-carboxylate
• Authors of publication: Mohan, A.; Ramesh, P.; Saravanan, D.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o998
• a: 16.377 ± 0.0007 Å
• b: 8.5928 ± 0.0004 Å
• c: 43.7733 ± 0.0019 Å
• α: 90°
• β: 91.15 ± 0.001°
• γ: 90°
• Cell volume: 6158.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes