Information card for entry 4021027

Structure parameters

• Formula: C28 H52 N2 O4 Pd
• Calculated formula: C28 H52 N2 O4 Pd
• SMILES: C1(CCCCC1)[NH]([Pd](OC(=O)C)([NH](C1CCCCC1)C1CCCCC1)OC(=O)C)C1CCCCC1
• Title of publication: Simple Amine/Pd(OAc)~2~-Catalyzed Suzuki Coupling Reactions of Aryl Bromides under Mild Aerobic Conditions
• Authors of publication: Bin Tao; David W. Boykin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4330 - 4335
• a: 8.9497 ± 0.0006 Å
• b: 15.3708 ± 0.0011 Å
• c: 10.6571 ± 0.0008 Å
• α: 90°
• β: 90.122 ± 0.001°
• γ: 90°
• Cell volume: 1466.03 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No