Information card for entry 7109716

Structure parameters

• Formula: C26 H19 F N6 O0
• Calculated formula: C26 H19 F N6
• SMILES: c1(ccccn1)N(c1ccccn1)c1cc(cc(c1)N(c1ccccn1)c1ccccn1)F
• Title of publication: Unexpected helicity control and helix inversion: homochiral helical nanotubes consisting of an achiral ligand
• Authors of publication: Kaiju Wei; Jia Ni; Yuanzeng Min; Siming Chen; Yangzhong Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 8220
• a: 13.9282 ± 0.0018 Å
• b: 16.957 ± 0.002 Å
• c: 9.4902 ± 0.0012 Å
• α: 90°
• β: 105.412 ± 0.002°
• γ: 90°
• Cell volume: 2160.8 ± 0.5 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: 0.0743
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No