Information card for entry 7707784

Structure parameters

• Chemical name: Zn salen cyclohexyldiamine (R,R) [4]helicene
• Formula: C44 H34 N2 O3 Zn
• Calculated formula: C44 H34 N2 O3 Zn
• SMILES: [Zn]123(Oc4c(C=[N]1[C@H]1[C@@H](CCCC1)[N]3=Cc1cc3c(c5c6ccccc6ccc5cc3)cc1O2)cc1c(c4)c2c(cc1)ccc1c2cccc1)[OH2]
• 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: 19.96 ± 0.003 Å
• b: 8.349 ± 0.002 Å
• c: 20.342 ± 0.004 Å
• α: 90°
• β: 90.642 ± 0.013°
• γ: 90°
• Cell volume: 3389.7 ± 1.2 ų
• Cell temperature: 150 ± 10 K
• Ambient diffraction temperature: 150 ± 10 K
• Number of distinct elements: 5
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.2592
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No