Information card for entry 7135706

Structure parameters

• Formula: C30 H14 B F5 N4 S
• Calculated formula: C30 H14 B F5 N4 S
• Title of publication: Chiral bowl-shaped thiazole-embedded B(III)-azatriphyrins(2.1.1): a nonaromatic platform <i>via</i> triple core-modification.
• Authors of publication: Zhang, Lei; Wu, Qinghua; Li, Zhongxin; Gu, Wenxin; Kang, Zhengxin; Wang, Hua; Wang, Long; Shang, Yingjian; Jiao, Lijuan; Hao, Erhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 26
• Pages of publication: 6969 - 6973
• a: 19.8353 ± 0.0003 Å
• b: 16.2211 ± 0.0002 Å
• c: 16.1661 ± 0.0003 Å
• α: 90°
• β: 109.513 ± 0.001°
• γ: 90°
• Cell volume: 4902.71 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.701
• Diffraction radiation wavelength: 0.68883 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No