Information card for entry 2215426

Structure parameters

• Chemical name: 4-Allyl-2-[1-(5-allyl-2-hydroxy-3-methoxybenzyl)-1<i>H</i>-benzimidazol-2-yl]-6-methoxyphenol pyridine solvate
• Formula: C33 H33 N3 O4
• Calculated formula: C33 H33 N3 O4
• SMILES: Oc1c(OC)cc(cc1Cn1c2ccccc2nc1c1c(O)c(OC)cc(c1)CC=C)CC=C.n1ccccc1
• Title of publication: 4-Allyl-2-[1-(5-allyl-2-hydroxy-3-methoxybenzyl)-1<i>H</i>-benzimidazol-2-yl]-6-methoxyphenol pyridine solvate
• Authors of publication: Naser Eltaher Eltayeb; Siang Guan Teoh; Suchada Chantrapromma; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4141 - o4142
• a: 9.5355 ± 0.0001 Å
• b: 17.3405 ± 0.0003 Å
• c: 17.8604 ± 0.0003 Å
• α: 92.84 ± 0.001°
• β: 105.372 ± 0.001°
• γ: 102.523 ± 0.001°
• Cell volume: 2761.8 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes