Information card for entry 4037198

Structure parameters

• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• SMILES: N1(C(=O)c2ccccc2[C@@H]1Cc1ccccc1)OC
• Title of publication: Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives.
• Authors of publication: Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 17
• Pages of publication: 7931 - 7938
• a: 8.5662 ± 0.0004 Å
• b: 10.7642 ± 0.0006 Å
• c: 14.3417 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1322.42 ± 0.12 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0445
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No