Information card for entry 7060614

Structure parameters

• Formula: C8 H18 B Cl2 N O5
• Calculated formula: C8 H18 B Cl2 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: 8.6163 ± 0.0011 Å
• b: 11.914 ± 0.0015 Å
• c: 13.6933 ± 0.0016 Å
• α: 90°
• β: 99.807 ± 0.003°
• γ: 90°
• Cell volume: 1385.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1077
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No