Information card for entry 7234147

Structure parameters

• Formula: C42 H26 B F2 N5 S2
• Calculated formula: C42 H26 B F2 N5 S2
• SMILES: S1c2c(N(c3cc4c([n]5c(N=c6n(c7ccc(N8c9ccccc9Sc9c8cccc9)cc7cc6)[B]5(F)F)cc4)cc3)c3ccccc13)cccc2
• Title of publication: Aza-boron-diquinomethene complexes bearing N-aryl chromophores: synthesis, crystal structures, tunable photophysics, the protonation effect and their application as pH sensors
• Authors of publication: Xiaolin Zhu; Hai Huang; Rui Liu; Xiaodong Jin; Yuhao Li; Danfeng Wang; Qiang Wang; Hongjun Zhu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 3774 - 3782
• a: 8.2448 ± 0.0013 Å
• b: 13.187 ± 0.002 Å
• c: 19.061 ± 0.003 Å
• α: 100.053 ± 0.014°
• β: 95.703 ± 0.013°
• γ: 95.546 ± 0.012°
• Cell volume: 2016.7 ± 0.6 ų
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.169
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No