Information card for entry 7060613

Structure parameters

• Formula: C8 H19 B Cl N O5
• Calculated formula: C8 H19 B Cl N O5
• Title of publication: Reactivity and mechanisms of hydridic hydrogen of B‒H in ammonia borane towards acetic acids: the ammonia B-monoacyloxy boranes
• Authors of publication: Li, Huizhen; Li, Yunhui; Kang, Jiaxin; Fan, Lin; Yang, Qiuyu; Li, Shujun; Rahman, Abdul; Chen, Daqi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9904 - 9911
• a: 10.312 ± 0.002 Å
• b: 12.187 ± 0.002 Å
• c: 10.6044 ± 0.0019 Å
• α: 90°
• β: 100.686 ± 0.006°
• γ: 90°
• Cell volume: 1309.6 ± 0.4 ų
• Cell temperature: 103 ± 0.2 K
• Ambient diffraction temperature: 103 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No