Information card for entry 4331142

Structure parameters

• Chemical name: 3-Fluoren-9-ylidenemethyl-pyridine
• Formula: C19 H13 N
• Calculated formula: C19 H13 N
• SMILES: n1cc(ccc1)C=C1c2c(c3c1cccc3)cccc2
• Title of publication: Diimine Triscarbonyl Re(I) of Isomeric Pyridyl-fulvene Ligands: an Electrochemical, Spectroscopic, and Computational Investigation
• Authors of publication: Daniel Chartrand; Carlos A. Castro Ruiz; Garry S. Hanan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12738 - 12747
• a: 6.2909 ± 0.0004 Å
• b: 11.8465 ± 0.0007 Å
• c: 18.5314 ± 0.0011 Å
• α: 90.475 ± 0.003°
• β: 96.308 ± 0.003°
• γ: 105.025 ± 0.003°
• Cell volume: 1324.79 ± 0.14 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No