Information card for entry 7154097

Structure parameters

• Formula: C24 H24 N2 O2
• Calculated formula: C24 H24 N2 O2
• SMILES: O=C1c2c3c(ccc2CN1C(C(=O)NC(C)(C)C)c1ccccc1)cccc3
• Title of publication: Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.
• Authors of publication: Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 44
• Pages of publication: 8861 - 8865
• a: 8.7602 ± 0.0004 Å
• b: 10.7729 ± 0.0007 Å
• c: 12.2413 ± 0.0007 Å
• α: 65.145 ± 0.006°
• β: 88.691 ± 0.004°
• γ: 83.815 ± 0.004°
• Cell volume: 1041.82 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0544
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No