Information card for entry 4331143

Structure parameters

• Chemical name: 4-Fluoren-9-ylidenemethyl-pyridine
• Formula: C19 H13 N
• Calculated formula: C19 H13 N
• SMILES: n1ccc(cc1)C=C1c2c(cccc2)c2c1cccc2
• 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: 9.2782 ± 0.0004 Å
• b: 21.8542 ± 0.0009 Å
• c: 6.9306 ± 0.0003 Å
• α: 90°
• β: 104.675 ± 0.002°
• γ: 90°
• Cell volume: 1359.46 ± 0.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0466
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No