Information card for entry 4035842

Structure parameters

• Formula: C15 H14 F N O4
• Calculated formula: C15 H14 F N O4
• SMILES: F[C@]1(C[C@H]2C(=O)N(C(=O)[C@@H]12)Cc1ccccc1)C(=O)OC.F[C@@]1(C[C@@H]2C(=O)N(C(=O)[C@H]12)Cc1ccccc1)C(=O)OC
• Title of publication: [2+2]-Photocycloaddition of N-Benzylmaleimide to Alkenes As an Approach to Functional 3-Azabicyclo[3.2.0]heptanes.
• Authors of publication: Skalenko, Yevhen A.; Druzhenko, Tetiana V.; Denisenko, Aleksandr V.; Samoilenko, Maryna V.; Dacenko, Oleksandr P.; Trofymchuk, Serhii A.; Grygorenko, Oleksandr O.; Tolmachev, Andrey A.; Mykhailiuk, Pavel K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 12
• Pages of publication: 6275 - 6289
• a: 13.4599 ± 0.0013 Å
• b: 5.9693 ± 0.0004 Å
• c: 8.7884 ± 0.001 Å
• α: 90°
• β: 101.719 ± 0.009°
• γ: 90°
• Cell volume: 691.4 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No