Information card for entry 7016686

Structure parameters

• Formula: C28 H27 N3 O
• Calculated formula: C28 H27 N3 O
• SMILES: n1c(c2c(cccc2)O)cccc1CN1c2c3c(ccc2)cccc3N2[C@@]1(CC[C@H]2C)C
• Title of publication: Development of homogeneous and heterogenized rhodium(i) and palladium(ii) complexes with ligands based on a chiral proton sponge building block and their application as catalysts.
• Authors of publication: Villaverde, Gonzalo; Arnanz, Avelina; Iglesias, Marta; Monge, Angeles; Sánchez, Félix; Snejko, Natalia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9589 - 9600
• a: 10.414 ± 0.003 Å
• b: 13.565 ± 0.003 Å
• c: 15.401 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2175.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No