Information card for entry 7712974

Structure parameters

• Formula: C41 H31 Cl2 N5 O2
• Calculated formula: C41 H31 Cl2 N5 O2
• SMILES: ClCCl.n1(c2c(c3c1ccc(n1c4c(nc1c1c(O)cccc1)cccc4)c3)cc(n1c3c(nc1c1ccccc1O)cccc3)cc2)CC
• Title of publication: 2-Hydroxyphenyl Benzimidazoles and their Boron Complexes: Synthesis, Structure, Aggregation-Induced Emission and Picric acid Sensing
• Authors of publication: Arumugam, Ramar; Nayak, Prakash; Dey, Bijoy; Kannan, Ramkumar; Venkatasubbaiah, Krishnan; Chandrasekhar, Vadapalli
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.8967 ± 0.0002 Å
• b: 12.4713 ± 0.0002 Å
• c: 12.8652 ± 0.0003 Å
• α: 94.276 ± 0.002°
• β: 102.9 ± 0.002°
• γ: 93.46 ± 0.002°
• Cell volume: 1694.12 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No