Crystallography Open Database

Information card for entry 7060613

Preview

Coordinates	7060613.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
267211 (current)	2021-07-05	cif/ Updating files of 7060613, 7060614 Original log message: Adding full bibliography for 7060613--7060614.cif.	7060613.cif
264677	2021-04-29	cif/ Adding structures of 7060613, 7060614 via cif-deposit CGI script.	7060613.cif