Information card for entry 1556082

Structure parameters

• Formula: C24 H26 N3 O
• Calculated formula: C24 H26 N3 O
• SMILES: O=C(C[C@H](c1[nH]c2c(cccc2c1C)C)C)c1nccn1Cc1ccccc1
• Title of publication: Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics
• Authors of publication: Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 684 - 693
• a: 21.5973 ± 0.0008 Å
• b: 5.0981 ± 0.0002 Å
• c: 17.5377 ± 0.0007 Å
• α: 90°
• β: 91.771 ± 0.001°
• γ: 90°
• Cell volume: 1930.07 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No