Information card for entry 1544337

Structure parameters

• Formula: C26 H36 B F2 N3 O
• Calculated formula: C26 H36 B F2 N3 O
• SMILES: [B]1(F)(F)[n]2c(c3ccc[nH]3)cc(c2=Cc2ccc(CCCCCCCCCCCC)n12)OC
• Title of publication: Metal-Free and Versatile Synthetic Routes to Natural and Synthetic Prodiginines from Boron Dipyrrin.
• Authors of publication: Li, Jin; Zhang, Qian; Yin, Jian; Yu, Changjiang; Cheng, Kai; Wei, Yun; Hao, Erhong; Jiao, Lijuan
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 21
• Pages of publication: 5696 - 5699
• a: 7.5729 ± 0.0009 Å
• b: 10.5422 ± 0.0013 Å
• c: 16.273 ± 0.002 Å
• α: 91.813 ± 0.001°
• β: 99.198 ± 0.001°
• γ: 102.19 ± 0.001°
• Cell volume: 1250.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.123
• 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