Crystallography Open Database

Information card for entry 7245347

Preview

Coordinates	7245347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H33 B N2 S
Calculated formula	C20 H33 B N2 S
SMILES	S(c1c(cc(C(C)C)cc1C(C)C)C(C)C)[BH2]=C1N(C=CN1C)C
Title of publication	A general photo-induced wide-scope regioselective hydroboration of alkenes without using a photocatalyst or an external initiator
Authors of publication	Miao, Yu-Qi; Li, Xin-Ying; Pan, Qiao-Jing; Ma, Yubin; Kang, Jia-Xin; Ma, Yan-Na; Liu, Zhenxing; Chen, Xuenian
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	18
Pages of publication	7113 - 7121
a	7.8039 ± 0.0002 Å
b	17.1774 ± 0.0004 Å
c	14.8916 ± 0.0003 Å
α	90°
β	91.57 ± 0.002°
γ	90°
Cell volume	1995.48 ± 0.08 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	5
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	0.0532
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.1347
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278428 (current)	2022-10-07	cif/ Updating files of 7245347, 7245348, 7245349 Original log message: Adding full bibliography for 7245347--7245349.cif.	7245347.cif
277297	2022-08-18	cif/ Adding structures of 7245347, 7245348, 7245349 via cif-deposit CGI script.	7245347.cif