Information card for entry 7150046

Structure parameters

• Common name: 3,3'-Biquinoline
• Chemical name: 3,3'-Biquinoline
• Formula: C18 H12 N2
• Calculated formula: C18 H12 N2
• SMILES: c1nc2ccccc2cc1c1cnc2ccccc2c1
• Title of publication: Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.
• Authors of publication: Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 498 - 502
• a: 8.964 ± 0.006 Å
• b: 6.265 ± 0.004 Å
• c: 11.241 ± 0.008 Å
• α: 90°
• β: 107.109 ± 0.018°
• γ: 90°
• Cell volume: 603.4 ± 0.7 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.1043
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No