Information card for entry 1508602

Structure parameters

• Formula: C28 H26 Fe N2 O4
• Calculated formula: C28 H26 Fe N2 O4
• SMILES: [Fe]12345678([c]9([C@H]([C@H](/N=C(/c%10ccccc%10)c%10ccccc%10)C(=O)OC)CN(=O)=O)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Silver/ThioClickFerrophos-catalyzed enantioselective conjugate addition and cycloaddition of glycine imino ester with nitroalkenes.
• Authors of publication: Imae, Kazumi; Konno, Takashi; Ogata, Kenichi; Fukuzawa, Shin-ichi
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4410 - 4413
• a: 9.47 ± 0.003 Å
• b: 10.14 ± 0.003 Å
• c: 25.192 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2419.1 ± 1.2 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: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No