Information card for entry 7151369

Structure parameters

• Formula: C24 H24 N2 O
• Calculated formula: C24 H24 N2 O
• SMILES: n1c(ccc2[C@H]3C([C@@H](Cc12)C3)(C)C)c1ncc(cc1)c1ccc(OC)cc1
• 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: 9.1016 ± 0.0009 Å
• b: 9.3289 ± 0.0007 Å
• c: 11.1653 ± 0.0012 Å
• α: 90°
• β: 96.651 ± 0.013°
• γ: 90°
• Cell volume: 941.64 ± 0.16 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No