Information card for entry 4104652

Structure parameters

• Formula: C58 H54 N2 O4 S2 Zn2
• Calculated formula: C58 H54 N2 O4 S2 Zn2
• SMILES: C[Zn]1[O]=[S@](N([C@H](/C(=C(\C)c2ccccc2)c2ccccc2)c2ccccc2)[Zn](C)[O]=[S@@](N1[C@@H](C(=C(C)\c1ccccc1)\c1ccccc1)c1ccccc1)(=O)c1ccccc1)(=O)c1ccccc1
• Title of publication: Ni(0)-Catalyzed Formation of Azaaluminacyclopentenes via Azanickelacyclopentenes: A Unique Nickel/Aluminum Double Transmetalation Reaction
• Authors of publication: Masato Ohashi; Osamu Kishizaki; Haruo Ikeda; Sensuke Ogoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9160 - 9161
• a: 11.6351 ± 0.0004 Å
• b: 17.7899 ± 0.0006 Å
• c: 12.3513 ± 0.0005 Å
• α: 90°
• β: 105.272 ± 0.0012°
• γ: 90°
• Cell volume: 2466.28 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No