Information card for entry 4035637

Structure parameters

• Formula: C25 H36 Br N O3 S
• Calculated formula: C25 H36 Br N O3 S
• SMILES: BrCCCCC[C@H](C(c1ccccc1)(c1ccccc1)OCOC)NS(C(C)(C)C)=O
• Title of publication: Addition of the Lithium Anion of Diphenylmethanol Methyl/Methoxymethyl Ether to Nonracemic Sulfinimines: Two-Step Asymmetric Synthesis of Diphenylprolinol Methyl Ether and Chiral (Diphenylmethoxymethyl)amines.
• Authors of publication: Reddy, Arava Amaranadha; Prasad, Kavirayani R.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 18
• Pages of publication: 10776 - 10785
• a: 8.715 ± 0.003 Å
• b: 14.329 ± 0.006 Å
• c: 21.298 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2659.6 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0868
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No