Information card for entry 4339437

Structure parameters

• Formula: C18 H32 Cl2 N4 O4 Pt
• Calculated formula: C18 H32 Cl2 N4 O4 Pt
• SMILES: C1(=[N]([C@@]2(C)OCC(C)(C)N2O1)[Pt](Cl)([N]1=C(CC)ON2C(C)(C)CO[C@]12C)Cl)CC.C1(=[N]([C@]2(C)OCC(C)(C)N2O1)[Pt](Cl)([N]1=C(CC)ON2C(C)(C)CO[C@@]12C)Cl)CC
• Title of publication: PtII-mediated 1,3-dipolar cycloaddition of oxazoline N-oxides to nitriles as a key step to dihydrooxazolo-1,2,4-oxadiazoles.
• Authors of publication: Makarycheva-Mikhailova, Anastassiya V; Golenetskaya, Julia A.; Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 8323 - 8331
• a: 20.5932 ± 0.0006 Å
• b: 9.1472 ± 0.0004 Å
• c: 14.4093 ± 0.0004 Å
• α: 90°
• β: 117.766 ± 0.003°
• γ: 90°
• Cell volume: 2401.75 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No