Information card for entry 1512294

Structure parameters

• Formula: C28 H29 N O6 S
• Calculated formula: C28 H29 N O6 S
• SMILES: s1c([C@H]([C@H](N=C(c2ccccc2)c2ccccc2)C(=O)OC)C(C(=O)OCC)C(=O)OCC)ccc1
• Title of publication: Silver/ThioClickFerrophos Complex as an Effective Catalyst for Asymmetric Conjugate Addition of Glycine Imino Ester to Unsaturated Malonates and α-Enones.
• Authors of publication: Konno, Takashi; Watanabe, Sayo; Takahashi, Tatsuki; Tokoro, Yuichiro; Fukuzawa, Shin-Ichi
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 17
• Pages of publication: 4418 - 4421
• a: 10.4878 ± 0.0009 Å
• b: 13.5652 ± 0.0012 Å
• c: 18.2721 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2599.6 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No