Information card for entry 7151375

Structure parameters

• Formula: C34 H50 N4
• Calculated formula: C34 H50 N4
• SMILES: c1(ccc2c(n1)[C@@H]([C@@H]1c3c(ccc(n3)C(N(C)C)(C)C)[C@H]3C([C@@H]1C3)(C)C)[C@@H]1C([C@H]2C1)(C)C)C(N(C)C)(C)C
• Title of publication: Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings
• Authors of publication: Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 11
• Pages of publication: 1894 - 1899
• a: 11.4893 ± 0.0008 Å
• b: 20.8542 ± 0.0016 Å
• c: 6.4198 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1538.19 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No