Information card for entry 1554926

Structure parameters

• Formula: C19 H16 N2 O4
• Calculated formula: C19 H16 N2 O4
• Title of publication: An Efficient Entry to syn- and anti-Selective Isoindolinones via an Organocatalytic Direct Mannich/Lactamization Sequence.
• Authors of publication: Bisai, Vishnumaya; Unhale, Rajshekhar A.; Suneja, Arun; Dhanasekaran, Sivasankaran; Singh, Vinod K.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2102 - 2105
• a: 7.5248 ± 0.0006 Å
• b: 11.7969 ± 0.0011 Å
• c: 18.7512 ± 0.0017 Å
• α: 90°
• β: 98.035 ± 0.002°
• γ: 90°
• Cell volume: 1648.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No