Information card for entry 1503566

Structure parameters

• Formula: C20 H20 F N O3
• Calculated formula: C20 H20 F N O3
• SMILES: Fc1ccc(c2n3[C@@H](C(=O)O[C@@H]4c3c(c2)C(=O)CC4(C)C)CC)cc1.Fc1ccc(c2n3[C@H](C(=O)O[C@H]4c3c(c2)C(=O)CC4(C)C)CC)cc1
• Title of publication: Efficient Domino Approaches to Multifunctionalized Fused Pyrroles and Dibenzo[b,e][1,4]diazepin-1-ones.
• Authors of publication: Jiang, Bo; Li, Qiu-Yun; Zhang, Hao; Tu, Shu-Jiang; Pindi, Suresh; Li, Guigen
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 700 - 703
• a: 8.3574 ± 0.0008 Å
• b: 9.8705 ± 0.0009 Å
• c: 11.1365 ± 0.0012 Å
• α: 82.181 ± 0.001°
• β: 81.74 ± 0.001°
• γ: 85.669 ± 0.002°
• Cell volume: 899.22 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1823
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No