Information card for entry 7121087

Structure parameters

• Chemical name: Unknown
• Formula: C35 H32 N2 O5 S2
• Calculated formula: C35 H32 N2 O5 S2
• SMILES: S(=O)(=O)(N1[C@H](N(S(=O)(=O)c2ccc(cc2)C)C[C@H]1CC(=O)c1ccccc1)c1c2c(ccc1)cccc2)c1ccc(cc1)C
• Title of publication: Organocatalytic asymmetric synthesis of 2,4-disubstituted imidazolidines via domino addition-aza-Michael reaction.
• Authors of publication: Mukhopadhyay, Soumendranath; Pan, Subhas Chandra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 964 - 967
• a: 8.2494 ± 0.001 Å
• b: 13.4963 ± 0.0014 Å
• c: 27.994 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3116.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2377
• Residual factor for significantly intense reflections: 0.1015
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No