Information card for entry 1505628

Structure parameters

• Formula: C18 H16 N2 O5
• Calculated formula: C18 H16 N2 O5
• SMILES: O=C1N2[C@](O)(c3ccccc13)[C@]1(O)N(C(=O)c3c1cccc3)CC2.O.O=C1N2[C@@](O)(c3ccccc13)[C@@]1(O)N(C(=O)c3c1cccc3)CC2.O
• Title of publication: Phthalimides as exceptionally efficient single electron transfer acceptors in reductive coupling reactions promoted by samarium diiodide.
• Authors of publication: Vacas, Tatiana; Alvarez, Eleuterio; Chiara, Jose Luis
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5445 - 5448
• a: 15.6298 ± 0.0002 Å
• b: 7.5395 ± 0.0001 Å
• c: 26.9183 ± 0.0004 Å
• α: 90°
• β: 105.851 ± 0.001°
• γ: 90°
• Cell volume: 3051.46 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No