Information card for entry 7134120

Structure parameters

• Formula: C6 H20 B3 N O2
• Calculated formula: C6 H20 B3 N O2
• Title of publication: Synthesis, structures, and optical properties of N-heterocycle and amino acid ester-coordinated B₃H₇.
• Authors of publication: Chen, Xi-Meng; Chi, Jing-Xian; Li, Yin-Yin; Ge, Yi-Wen; Wang, Peng; Wang, Hongju; Jiang, Kai; Ma, Yan-Na; Chen, Xuenian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 11
• Pages of publication: 2313 - 2316
• a: 8.6344 ± 0.0009 Å
• b: 18.1239 ± 0.0016 Å
• c: 7.5131 ± 0.0007 Å
• α: 90°
• β: 91.852 ± 0.009°
• γ: 90°
• Cell volume: 1175.1 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0998
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2398
• Weighted residual factors for all reflections included in the refinement: 0.2685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No