Information card for entry 7712846

Structure parameters

• Formula: C35 H27 N5 O
• Calculated formula: C35 H27 N5 O
• SMILES: n1c(cccc1c1[nH]c(c2ncccc2)cc1c1ccccc1)c1[nH]c(c2ncccc2)cc1c1ccccc1.O
• Title of publication: Secondary hierarchical complexity in double-stranded cluster helicates covered by NNNNN type pincer ligands
• Authors of publication: Xiao, Wang-Chuan; Nie, Qing-Bin; Luo, Geng-Geng
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 14.8674 ± 0.0014 Å
• b: 13.0593 ± 0.0009 Å
• c: 15.2619 ± 0.0012 Å
• α: 90°
• β: 110.215 ± 0.009°
• γ: 90°
• Cell volume: 2780.7 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1573
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No