Information card for entry 7104398

Structure parameters

• Formula: C40 H26 F10 N6 O6 S2 Zn
• Calculated formula: C40 H25.5 F10 N6 O6 S2 Zn
• SMILES: [Zn]1234([n]5c(C=[N]1c1ccc(F)cc1)cccc5C=[N]2c1ccc(F)cc1)[N](c1ccc(F)cc1)=Cc1[n]3c(C=[N]4c2ccc(F)cc2)ccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Constitutional self-sorting of homochiral supramolecular helical single crystals from achiral components.
• Authors of publication: Dumitru, Florina; Legrand, Yves-Marie; Van der Lee, Arie; Barboiu, Mihail
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 2667 - 2669
• a: 10.09216 ± 0.00017 Å
• b: 20.3191 ± 0.0004 Å
• c: 22.3161 ± 0.0003 Å
• α: 114.401 ± 0.0016°
• β: 91.6422 ± 0.0013°
• γ: 89.7369 ± 0.0012°
• Cell volume: 4165.62 ± 0.13 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No