Information card for entry 7119084

Structure parameters

• Common name: hg_m-OMe_R1140_LT
• Formula: C19 H16 Fe O
• Calculated formula: C19 H16 Fe O
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]23[cH]1[cH]6[cH]7[c]82ccc1c3ccc(c1)OC
• Title of publication: Mild access to planar-chiral ortho-condensed aromatic ferrocenes via gold(I)-catalyzed cycloisomerization of ortho-alkynylaryl ferrocenes
• Authors of publication: Antonio Urbano; Gloria Hernandez-Torres; Ana M. del Hoyo; Alicia Martinez-Carrion; M. Carmen Carreno
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6419
• a: 7.8273 ± 0.0013 Å
• b: 7.8273 ± 0.0013 Å
• c: 47.227 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2893.4 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No