Information card for entry 1502642

Structure parameters

• Formula: C25 H20 F N O
• Calculated formula: C25 H20 F N O
• SMILES: C1[C@@H]2[C@@H](c3c4cc5ccccc5cc4ccc3N[C@H]2c2ccc(F)cc2)OC1.C1[C@H]2[C@H](c3c4cc5ccccc5cc4ccc3N[C@@H]2c2ccc(F)cc2)OC1
• Title of publication: Efficient and highly selective method for the synthesis of benzo(naphtho)quinoline derivatives catalyzed by iodine.
• Authors of publication: Wang, Xiang-Shan; Zhou, Jie; Yin, Ming-Yue; Yang, Ke; Tu, Shu-Jiang
• Journal of publication: Journal of combinatorial chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 266 - 269
• a: 9.1128 ± 0.001 Å
• b: 10.1416 ± 0.0012 Å
• c: 10.6352 ± 0.0013 Å
• α: 76.379 ± 0.008°
• β: 81.633 ± 0.008°
• γ: 74.199 ± 0.008°
• Cell volume: 915.66 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2513
• Weighted residual factors for all reflections included in the refinement: 0.2745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No