Information card for entry 7126179

Structure parameters

• Formula: C16 H10 N4
• Calculated formula: C16 H10 N4
• SMILES: n1c2n(c3c1ccc1nc4n(c31)cccc4)cccc2
• Title of publication: Short-step synthesis and chiroptical properties of polyaza[5]-[9]helicenes with blue to green-colour emission.
• Authors of publication: Otani, Takashi; Sasayama, Takuma; Iwashimizu, Chisaki; Kanyiva, Kyalo Stephen; Kawai, Hidetoshi; Shibata, Takanori
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 32
• Pages of publication: 4484 - 4487
• a: 11.6524 ± 0.0007 Å
• b: 4 ± 0.0002 Å
• c: 14.3571 ± 0.0008 Å
• α: 90°
• β: 92.273 ± 0.007°
• γ: 90°
• Cell volume: 668.65 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1641
• Residual factor for significantly intense reflections: 0.1609
• Weighted residual factors for significantly intense reflections: 0.401
• Weighted residual factors for all reflections included in the refinement: 0.4065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.892
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No