Information card for entry 7151371

Structure parameters

• Formula: C25 H25 Cl3 N2 O
• Calculated formula: C25 H25 Cl3 N2 O
• SMILES: O(c1ccc(c2nc(c3nc4c(cc3)[C@H]3C([C@@H](C4)C3)(C)C)ccc2)cc1)C.ClC(Cl)Cl
• 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: 6.6825 ± 0.0005 Å
• b: 7.4085 ± 0.0004 Å
• c: 23.4403 ± 0.0018 Å
• α: 90°
• β: 94.08 ± 0.01°
• γ: 90°
• Cell volume: 1157.53 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No