Information card for entry 2006715

Structure parameters

• Common name: (R,R)-Jacobsen Ligand
• Chemical name: (1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butyl-salicylidene)
• Formula: C36 H54 N2 O2
• Calculated formula: C36 H54 N2 O2
• SMILES: Oc1c(cc(cc1/C=N/[C@@H]1CCCC[C@H]1/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: (1<i>R</i>,2<i>R</i>)-({-})-<i>N</i>,<i>N</i>'-Bis(3,5-di-<i>tert</i>-butylsalicylidene)-1,2-cyclohexanediamine: a Salen Ligand of Jacobsen's Catalyst
• Authors of publication: Yoon, Jae Woong; Yoon, Tae-Sung; Shin, Whanchul
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1685 - 1687
• a: 6.7832 ± 0.0009 Å
• b: 18.325 ± 0.0003 Å
• c: 27.751 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3449.5 ± 0.5 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1362
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections: 0.2022
• Weighted residual factors for significantly intense reflections: 0.1356
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No