Information card for entry 1505629

Structure parameters

• Formula: C19 H20 N2 O3
• Calculated formula: C19 H20 N2 O3
• SMILES: O=C1N2CC[C@@](NOCc3ccccc3)([C@]2(O)c2c1cccc2)C.O=C1N2CC[C@](NOCc3ccccc3)([C@@]2(O)c2c1cccc2)C
• 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: 9.5421 ± 0.0007 Å
• b: 11.3451 ± 0.0008 Å
• c: 15.2978 ± 0.0011 Å
• α: 80.669 ± 0.002°
• β: 82.832 ± 0.002°
• γ: 87.598 ± 0.002°
• Cell volume: 1621 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No