Information card for entry 1545137

Structure parameters

• Formula: C60.5 H43 Cl F15 N4
• Calculated formula: C60.5 H43 Cl F15 N4
• Title of publication: Neo-N-confused Phlorins and Phlorinone: Rational Synthesis and Tunable Properties.
• Authors of publication: Kong, Jiahui; Shao, Jiewei; Li, Chengjie; Qi, Dongdong; Li, Minzhi; Liang, Xu; Zhu, Weihua; Jiang, Jianzhuang; Xie, Yongshu
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 650 - 653
• a: 14.8431 ± 0.0013 Å
• b: 15.2118 ± 0.0014 Å
• c: 15.2461 ± 0.0015 Å
• α: 119.302 ± 0.003°
• β: 106.276 ± 0.002°
• γ: 96.536 ± 0.001°
• Cell volume: 2749.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1437
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No