Information card for entry 4033053

Structure parameters

• Formula: C20 H20 F N O
• Calculated formula: C20 H20 F N O
• SMILES: Fc1ccc([C@@H]2C[C@H]3CN(C(=O)[C@@H]23)[C@H](C)c2ccccc2)cc1
• Title of publication: Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.
• Authors of publication: Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 18
• Pages of publication: 9627 - 9636
• a: 9.5079 ± 0.0003 Å
• b: 9.5079 ± 0.0003 Å
• c: 32.2672 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2526.16 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.2139
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No