Information card for entry 7106637

Structure parameters

• Formula: C26 H28 N4 O4
• Calculated formula: C26 H28 N4 O4
• SMILES: O=C1N([C@H]2Nc3ccccc3[C@]32[C@@]1(N(CC3)C(=O)C)c1ccc(N(=O)=O)cc1)C1CCCCC1.O=C1N([C@@H]2Nc3ccccc3[C@@]32[C@]1(N(CC3)C(=O)C)c1ccc(N(=O)=O)cc1)C1CCCCC1
• Title of publication: Straightforward four-component access to spiroindolines.
• Authors of publication: Laurent El Kaim; Laurence Grimaud; Xavier-Frederic Le Goff; Luis D. Miranda; Martha Menes-Arzate
• Journal of publication: Chem. Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8145
• a: 13.237 ± 0.001 Å
• b: 14.763 ± 0.001 Å
• c: 24.055 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4700.8 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No