Information card for entry 7102618

Structure parameters

• Formula: C33 H45 O2 P Ru
• Calculated formula: C33 H45 O2 P Ru
• SMILES: [Ru]12345678([p]9[c]4([c]3([c]2([c]19c1ccccc1)C)C)C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: Synthesis and resolution of the planar chirality of ester-functionalised phospharuthenocenes.
• Authors of publication: Carmichael, Duncan; Klankermayer, Jurgen; Ricard, Louis; Seeboth, Nicolas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1144 - 1145
• a: 10.085 ± 0.005 Å
• b: 11.771 ± 0.005 Å
• c: 26.42 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3136 ± 2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No