Information card for entry 1507092

Structure parameters

• Formula: C41 H45 Cl N4 O2 Pd
• Calculated formula: C41 H45 Cl N4 O2 Pd
• SMILES: [Pd]12(Cl)[N]34[C@H](N(c5ccccc5)C(=O)[C@@H]3CCC4)c3cc(C(C)(C)C)cc(c23)[C@@H]2[N]31[C@H](C(=O)N2c1ccccc1)CCC3.Cc1ccccc1
• Title of publication: Development of chiral pincer palladium complexes bearing a pyrroloimidazolone unit. Catalytic use for asymmetric Michael addition.
• Authors of publication: Takenaka, Kazuhiro; Uozumi, Yasuhiro
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 1833 - 1835
• a: 12.2613 ± 0.0005 Å
• b: 12.4185 ± 0.0005 Å
• c: 23.9133 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3641.2 ± 0.3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No