Information card for entry 7113764

Structure parameters

• Formula: C36 H48 F N7 O10
• Calculated formula: C36 H48 F N7 O10
• SMILES: [F-].N(C(=O)c1cc(ccc1)C(=O)Nc1cc(N(=O)=O)cc(N(=O)=O)c1)c1cc(N(=O)=O)cc(N(=O)=O)c1.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Anion-directed assembly: the first fluoride-directed double helix
• Authors of publication: Coles, Simon J.; Frey, Jeremy G.; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.; Navakhun, Korakot; Thomas, Gemma L.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 568 - 569
• a: 18.9979 ± 0.0013 Å
• b: 22.113 ± 0.0011 Å
• c: 17.9782 ± 0.001 Å
• α: 90°
• β: 91.571 ± 0.002°
• γ: 90°
• Cell volume: 7549.8 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.22
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.2974
• Weighted residual factors for all reflections included in the refinement: 0.3545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103996
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No