Information card for entry 1503863

Structure parameters

• Formula: C23 H24 N2 O5
• Calculated formula: C23 H24 N2 O5
• SMILES: C1COCCN1c1ccc2c(c1C(=O)OCC)C(=O)N1[C@H]2OC[C@H]1c1ccccc1
• Title of publication: Concise synthesis of tricyclic isoindolinones via one-pot cascade multicomponent sequences.
• Authors of publication: Medimagh, Raouf; Marque, Sylvain; Prim, Damien; Marrot, Jérôme; Chatti, Saber
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1817 - 1820
• a: 8.7153 ± 0.0007 Å
• b: 9.8625 ± 0.0009 Å
• c: 24.055 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2067.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No