Information card for entry 7153539

Structure parameters

• Formula: C31 H31 N O4
• Calculated formula: C31 H31 N O4
• SMILES: o1c(cc2c(ccc(OC(c3ccccc3)c3ccccc3)c12)C(=C\C(=O)N(CC)CC)\C)C(=O)C
• Title of publication: Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors
• Authors of publication: Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 23
• Pages of publication: 3427 - 3431
• a: 10.259 ± 0.001 Å
• b: 16.12 ± 0.002 Å
• c: 8.654 ± 0.002 Å
• α: 104.45 ± 0.01°
• β: 105.78 ± 0.01°
• γ: 96.235 ± 0.008°
• Cell volume: 1309.5 ± 0.4 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.358
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No