Information card for entry 7108437

Structure parameters

• Formula: C49 H37 Co F3 O2 P
• Calculated formula: C49 H37 Co F3 O2 P
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Co]12345(C(=C2C(=C1c1ccccc1)c1c(C(=O)OC2C)cccc1)c1ccc(cc1)C(F)(F)F)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Diastereoselective synthesis of half-sandwich chiral-at-metal cobaltacycles by oxidative cyclisation
• Authors of publication: Jahangir Amin; Christopher J. Richards
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10192
• a: 12.9334 ± 0.0003 Å
• b: 13.7437 ± 0.0004 Å
• c: 21.5542 ± 0.0006 Å
• α: 90°
• β: 103.477 ± 0.002°
• γ: 90°
• Cell volume: 3725.82 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No