Information card for entry 7155033

Structure parameters

• Formula: C37 H36 N O3 Rh
• Calculated formula: C37 H36 N O3 Rh
• SMILES: [Rh]123(OC(=CC(=[O]1)C)C)[N]1[C@@](C[CH]3=[CH2]2)(COC=1C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
• Title of publication: Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.
• Authors of publication: Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 15
• Pages of publication: 3686 - 3689
• a: 10.8993 ± 0.0007 Å
• b: 13.2135 ± 0.0008 Å
• c: 21.2588 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3061.6 ± 0.3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0347
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No