Information card for entry 7108986

Structure parameters

• Formula: C35 H30 N4 Ni O3
• Calculated formula: C35 H30 N4 Ni O3
• SMILES: [Ni]123N(c4c(C(=[N]1[C@H](C(=O)O3)c1c[nH]c3c1cccc3)c1ccccc1)cccc4)C(=O)[C@H]1[N]2(CCC1)Cc1ccccc1
• Title of publication: Highly diastereoselective synthesis of 3-indolylglycines via an asymmetric oxidative heterocoupling reaction of a chiral nickel(II) complex and indoles
• Authors of publication: Daizong Lin; Jiang Wang; Xu Zhang; Shengbin Zhou; Jie Lian; Hualiang Jiang; Hong Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 2575
• a: 11.435 ± 0.005 Å
• b: 9.023 ± 0.004 Å
• c: 15.152 ± 0.007 Å
• α: 90°
• β: 99.011 ± 0.01°
• γ: 90°
• Cell volume: 1544.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1828
• Residual factor for significantly intense reflections: 0.1047
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No