Information card for entry 7150796

Structure parameters

• Formula: C25 H28 N2 O6
• Calculated formula: C25 H28 N2 O6
• SMILES: O(c1ccc(c2c(N)c(oc12)C(=O)C)/C(=C/C(=O)NCCc1cc(OC)c(OC)cc1)C)C
• Title of publication: Preparation of 2-, 3-, 4- and 7-(2-alkylcarbamoyl-1-alkylvinyl)benzo[b]furans and their BLT1 and/or BLT2 inhibitory activities
• Authors of publication: Ando, Kumiko; Kawamura, Yoko; Akai, Yukiko; Kunitomo, Jun-ichi; Yokomizo, Takehiko; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 296 - 307
• a: 5.07959 ± 0.00013 Å
• b: 16.8946 ± 0.0004 Å
• c: 27.9131 ± 0.0007 Å
• α: 78.308 ± 0.0014°
• β: 89.999 ± 0.0014°
• γ: 81.384 ± 0.0014°
• Cell volume: 2318.12 ± 0.1 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.0355
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No