Information card for entry 1545664

Structure parameters

• Formula: C24 H23 B N2 O
• Calculated formula: C24 H23 B N2 O
• SMILES: [B]12(C)n3c(c4ccccc4O2)c2ccccc2c3C=c2c(C)c(c(C)[n]12)CC
• Title of publication: Sterically Protected N2O-Type Benzopyrromethene Boron Complexes from Boronic Acids with Intense Red/Near-Infrared Fluorescence.
• Authors of publication: Chen, Na; Zhang, Wenjie; Chen, Shun; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Xu, Yuekang; Hao, Erhong; Jiao, Lijuan
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 2026 - 2029
• a: 8.875 ± 0.007 Å
• b: 10.93 ± 0.008 Å
• c: 11.258 ± 0.009 Å
• α: 112.189 ± 0.009°
• β: 98.039 ± 0.009°
• γ: 93.399 ± 0.009°
• Cell volume: 993.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0922
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No