Information card for entry 1505868

Structure parameters

• Chemical name: Richards
• Formula: C42 H36 Co N2 O0.5
• Calculated formula: C42 H36 Co N2 O0.5
• SMILES: O.[C]12(=[C]3([C]4(=[C]1(c1ccccc1)[Co]1567234[cH]2[cH]1[cH]5[cH]6[c]72c1cnccc1N1CCCC1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: A metallocene-pyrrolidinopyridine nucleophilic catalyst for asymmetric synthesis.
• Authors of publication: Nguyen, Huy V.; Butler, David C. D.; Richards, Christopher J.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 769 - 772
• a: 18.5614 ± 0.0003 Å
• b: 34.2968 ± 0.0008 Å
• c: 10.4254 ± 0.0002 Å
• α: 90°
• β: 107.776 ± 0.001°
• γ: 90°
• Cell volume: 6319.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No