Information card for entry 4067960

Structure parameters

• Formula: C17 H18 N2
• Calculated formula: C17 H18 N2
• SMILES: n1cccc2nccc(c12)C1C(=C(C(=C1C)C)C)C
• Title of publication: Synthesis and Complexation Behavior of Indenyl and Cyclopentadienyl Ligands Functionalized with a Naphthyridine Unit
• Authors of publication: Sieb, David; Schuhen, Katrin; Morgen, Michael; Herrmann, Heike; Wadepohl, Hubert; Lucas, Nigel T.; Baker, Robert W.; Enders, Markus
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 356
• a: 10.767 ± 0.006 Å
• b: 6.462 ± 0.003 Å
• c: 19.365 ± 0.008 Å
• α: 90°
• β: 95.621 ± 0.006°
• γ: 90°
• Cell volume: 1340.9 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No