Information card for entry 4035848

Structure parameters

• Formula: C14 H14 Br N O2
• Calculated formula: C14 H14 Br N O2
• SMILES: BrC[C@H]1C[C@@H]2C(=O)N(C(=O)[C@H]12)Cc1ccccc1.BrC[C@@H]1C[C@H]2C(=O)N(C(=O)[C@@H]12)Cc1ccccc1
• 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: 6.3634 ± 0.0016 Å
• b: 17.543 ± 0.007 Å
• c: 12.5068 ± 0.0018 Å
• α: 90°
• β: 104.343 ± 0.019°
• γ: 90°
• Cell volume: 1352.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No