Information card for entry 7104399

Structure parameters

• Formula: C44 H38 F6 N6 O10 S2 Zn
• Calculated formula: C44 H38 F6 N6 O10 S2 Zn
• 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: 12.9994 ± 0.0003 Å
• b: 13.0121 ± 0.0003 Å
• c: 14.4037 ± 0.0003 Å
• α: 76.696 ± 0.002°
• β: 74.783 ± 0.002°
• γ: 88.9478 ± 0.0019°
• Cell volume: 2285.57 ± 0.09 ų
• Cell temperature: 173 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: 0.091
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0773
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No