Information card for entry 7707781

Structure parameters

• Chemical name: Zn salen phenyl bis[4]helicene
• Formula: C48 H36 N2 O4 Zn
• Calculated formula: C48 H36 N2 O4 Zn
• SMILES: [Zn]123([N](c4c([N]3=Cc3c(O2)cc2c5c6ccccc6ccc5ccc2c3)cccc4)=Cc2c(O1)cc1c3c(ccc1c2)ccc1c3cccc1)[OH2].C1OCCC1
• 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: 8.1499 ± 0.0014 Å
• b: 30.4057 ± 0.0015 Å
• c: 17.238 ± 0.003 Å
• α: 90°
• β: 121.19 ± 0.02°
• γ: 90°
• Cell volume: 3654.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.17
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2204
• Weighted residual factors for all reflections included in the refinement: 0.2875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No