Information card for entry 4037654

Structure parameters

• Formula: C28 H26 N2 O2 S
• Calculated formula: C28 H26 N2 O2 S
• SMILES: S(=O)(=O)(N1[C@@H](N(c2ccccc2)[C@@H](C1)c1ccccc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Stereoselective Syntheses of Highly Functionalized Imidazolidines and Oxazolidines via Ring-Opening-Cyclization of Activated Aziridines and Epoxides with Amines and Aldehydes.
• Authors of publication: Tarannum, Saima; Sk, Sahid; Das, Subhomoy; Wani, Imtiyaz Ahmad; Ghorai, Manas K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 10.6558 ± 0.0002 Å
• b: 11.2377 ± 0.0002 Å
• c: 19.3781 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2320.46 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0314
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No