Information card for entry 1512390

Structure parameters

• Formula: C33 H28 Cl N O3
• Calculated formula: C33 H28 Cl N O3
• SMILES: C1(C(=C(N(C1=O)Cc1ccc(Cl)cc1)c1ccccc1)C(=O)OC)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.
• Authors of publication: Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 5126 - 5129
• a: 8.6129 ± 0.0016 Å
• b: 10.1365 ± 0.0019 Å
• c: 16.519 ± 0.003 Å
• α: 81.013 ± 0.002°
• β: 76.588 ± 0.002°
• γ: 74.509 ± 0.002°
• Cell volume: 1345 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No