Information card for entry 7151049

Structure parameters

• Formula: C21 H15 Cl2 N O5
• Calculated formula: C21 H15 Cl2 N O5
• SMILES: Clc1c(c2cc(=O)[nH]c3c(oc4c3c2ccc4OC)C(=O)OCC)c(Cl)ccc1
• Title of publication: Synthesis and biological activities of novel furo[2,3,4-jk][2]benzazepin-4(3H)-one derivatives.
• Authors of publication: Ando, Kumiko; Akai, Yukiko; Kunitomo, Jun-Ichi; Yokomizo, Takehiko; Nakajima, Hidemitsu; Takeuchi, Tadayoshi; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 655 - 663
• a: 8.6316 ± 0.0002 Å
• b: 14.8772 ± 0.0003 Å
• c: 14.4589 ± 0.0003 Å
• α: 90°
• β: 95.3308 ± 0.0011°
• γ: 90°
• Cell volume: 1848.7 ± 0.07 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No