Crystallography Open Database

Information card for entry 1572201

Preview

Coordinates	1572201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H12 B3 N
Calculated formula	C5 H12 B3 N
Title of publication	Triborane (B<sub>3</sub>H<sub>7</sub>)-mediated regioselective substitution reactions of pyridine derivatives.
Authors of publication	Fan, Zi-Heng; Kang, Jia-Xin; Jia, Sihan; Pan, Qiao-Jing; Cao, Lei; Chen, Xi-Meng; Xu, Cong-Qiao; Ma, Yan-Na; Chen, Xuenian
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	34
Pages of publication	13923 - 13929
a	13.9099 ± 0.0008 Å
b	8.0101 ± 0.0004 Å
c	14.4607 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1611.21 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1744
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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
294495 (current)	2024-09-06	cif/ Updating files of 1572200, 1572201 Original log message: Adding full bibliography for 1572200--1572201.cif.	1572201.cif
293556	2024-07-27	cif/ Adding structures of 1572200, 1572201 via cif-deposit CGI script.	1572201.cif