Information card for entry 7154021

Structure parameters

• Formula: C11 H12 F N O
• Calculated formula: C11 H12 F N O
• SMILES: C1(=O)[C@H](CC[C@@H](c2ccccc2)N1)F.C1(=O)[C@@H](CC[C@H](c2ccccc2)N1)F
• Title of publication: Short and efficient synthesis of fluorinated δ-lactams.
• Authors of publication: Cogswell, Thomas J.; Donald, Craig S.; Long, De-Liang; Marquez, Rodolfo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 717 - 728
• a: 6.0469 ± 0.0002 Å
• b: 9.1864 ± 0.0003 Å
• c: 9.4011 ± 0.0003 Å
• α: 110.41 ± 0.002°
• β: 96.98 ± 0.002°
• γ: 92.353 ± 0.002°
• Cell volume: 483.85 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No