Information card for entry 7051912

Structure parameters

• Formula: C20 H12 N2
• Calculated formula: C20 H12 N2
• SMILES: c1cccc2ncc3c(c12)c1c2ccccc2ncc1cc3
• Title of publication: Synthesis, crystal structure and crystal packing of diaza[5]helicenes
• Authors of publication: Bazzini, Cristina; Caronna, Tullio; Fontana, Francesca; Macchi, Piero; Mele, Andrea; Natali Sora, Isabella; Panzeri, Walter; Sironi, Angelo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 1710
• a: 20.352 ± 0.0006 Å
• b: 9.0912 ± 0.0003 Å
• c: 7.54 ± 0.0002 Å
• α: 90°
• β: 92.28 ± 0.001°
• γ: 90°
• Cell volume: 1393.98 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.151
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No