Information card for entry 4084663

Structure parameters

• Formula: C37 H35 O4 P Ru
• Calculated formula: C37 H35 O4 P Ru
• SMILES: [Ru]1234([P](C5c6c([CH]3=[CH]4c3c5cccc3)cccc6)(c3ccccc3)c3ccccc3)([O]=C(C)C=C(O1)C)OC(=CC(=[O]2)C)C
• Title of publication: Regio- and Enantioselective Linear Cross-Dimerizations between Conjugated Dienes and Acrylates Catalyzed by New Ru(0) Complexes
• Authors of publication: Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6604
• a: 16.0175 ± 0.0004 Å
• b: 16.0175 ± 0.0004 Å
• c: 24.3076 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6236.4 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No