Information card for entry 7126180

Structure parameters

• Formula: C25 H15 Cl3 N4
• Calculated formula: C24.5 H15 Cl N4
• SMILES: ClCCl.n12c(nc3c2c2n4c5ccccc5ccc4nc2cc3)ccc2c1cccc2
• 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: 11.21 Å
• b: 17.1917 Å
• c: 19.618 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3780.76 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No