Information card for entry 4320392

Structure parameters

• Common name: (-)-Bis-propyl-di-pinene-[5,6]-bipyridine
• Formula: C30 H40 N2
• Calculated formula: C30 H40 N2
• SMILES: n1c(ccc2c1[C@H]([C@H]1C[C@@H]2C1(C)C)CCC)c1nc2c(cc1)[C@@H]1C[C@H]([C@@H]2CCC)C1(C)C
• Title of publication: Stereoselective Synthesis of Chiral Pinene[5,6]bipyridine Ligands and Their Coordination Chemistry
• Authors of publication: Didier Lötscher; Stefan Rupprecht; Philippe Collomb; Peter Belser; Heiko Viebrock; Alex von Zelewsky; Peter Burger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5675 - 5681
• a: 8.223 ± 0.0009 Å
• b: 12.959 ± 0.002 Å
• c: 12.577 ± 0.0015 Å
• α: 90°
• β: 100.2 ± 0.009°
• γ: 90°
• Cell volume: 1319 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1976
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections: 0.2261
• Weighted residual factors for significantly intense reflections: 0.1629
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No