Information card for entry 7047778

Structure parameters

• Common name: LS113
• Formula: C26 H29 N3
• Calculated formula: C26 H29 N3
• Title of publication: Mechanochemical routes for the synthesis of acetyl- and bis-(imino)pyridine ligands and organometallics.
• Authors of publication: Shaw, Thomas E.; Shultz, Lorianne R.; Garayeva, Louiza R.; Blair, Richard G.; Noll, Bruce C.; Jurca, Titel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 47
• Pages of publication: 16876 - 16884
• a: 8.0169 ± 0.0006 Å
• b: 12.0185 ± 0.0009 Å
• c: 23.9871 ± 0.0017 Å
• α: 90°
• β: 90.409 ± 0.003°
• γ: 90°
• Cell volume: 2311.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No