Information card for entry 7109715

Structure parameters

• Formula: C26 H26 N6 O3
• Calculated formula: C26 H26 N6 O3
• SMILES: N(c1cc(N(c2ccccn2)c2ncccc2)ccc1)(c1ncccc1)c1ncccc1.O.O.O
• 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: 15.439 ± 0.003 Å
• b: 8.1148 ± 0.0018 Å
• c: 20.524 ± 0.005 Å
• α: 90°
• β: 110.613 ± 0.005°
• γ: 90°
• Cell volume: 2406.7 ± 0.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1534
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No