Information card for entry 7019376

Structure parameters

• Formula: C28 H43 Br P2 Pd
• Calculated formula: C28 H43 Br P2 Pd
• SMILES: [Pd]12(Br)[P](C3CCCC3)(C3CCCC3)Cc3c2c(ccc3)C[P]1(C1CCCC1)C1CCCC1
• Title of publication: Room temperature asymmetric Pd-catalyzed methoxycarbonylation of norbornene: highly selective catalysis and HP-NMR studies.
• Authors of publication: Blanco, Carolina; Godard, Cyril; Zangrando, Ennio; Ruiz, Aurora; Claver, Carmen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 23
• Pages of publication: 6980 - 6991
• a: 15.151 ± 0.003 Å
• b: 17.18 ± 0.004 Å
• c: 21.361 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5560 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No