Crystallography Open Database

Information card for entry 7157322

Preview

Coordinates	7157322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 N2 O2
Calculated formula	C9 H10 N2 O2
Title of publication	Boric acid catalyzed chemoselective reduction of quinolines.
Authors of publication	Bhattacharyya, Dipanjan; Nandi, Sekhar; Adhikari, Priyanka; Sarmah, Bikash Kumar; Konwar, Monuranjan; Das, Animesh
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	6
Pages of publication	1214 - 1220
a	7.5569 ± 0.0007 Å
b	7.5729 ± 0.0006 Å
c	15.4076 ± 0.0014 Å
α	90°
β	101.729 ± 0.009°
γ	90°
Cell volume	863.33 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.069
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1192
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
249034 (current)	2020-03-05	cif/ Updating files of 7157322 Original log message: Adding full bibliography for 7157322.cif.	7157322.cif
247241	2020-01-25	cif/ Adding structures of 7157322 via cif-deposit CGI script.	7157322.cif