Information card for entry 7707783

Structure parameters

• Formula: C20 H15 N O2
• Calculated formula: C20 H15 N O2
• SMILES: Oc1cc2c3c4ccccc4ccc3ccc2cc1C#N.OC
• Title of publication: Schiff-base [4]helicene Zn(II) complexes as chiral emitters.
• Authors of publication: Savchuk, Mariia; Vertueux, Steven; Cauchy, Thomas; Loumaigne, Matthieu; Zinna, Francesco; Di Bari, Lorenzo; Zigon, Nicolas; Avarvari, Narcis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 30
• Pages of publication: 10533 - 10539
• a: 10.7403 ± 0.0002 Å
• b: 10.8425 ± 0.00016 Å
• c: 13.7128 ± 0.0003 Å
• α: 90°
• β: 109.066 ± 0.002°
• γ: 90°
• Cell volume: 1509.28 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No