Crystallography Open Database

Information card for entry 7239723

Preview

Coordinates	7239723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 N2 O3
Calculated formula	C19 H22 N2 O3
Title of publication	Antibiotic activities of propanolamine containing 1,4-benzoxazin-3-ones against phytopathogenic bacteria
Authors of publication	Rao, Jiarui; Liu, Liwei; Zeng, Dan; Wang, Mingwei; Xiang, Meng; Yang, Song
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	2
Pages of publication	682 - 688
a	7.2797 ± 0.0005 Å
b	14.3957 ± 0.0012 Å
c	32.249 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3379.6 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.1155
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1557
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
258051 (current)	2020-10-06	cif/ Updating files of 7239723 Original log message: Adding full bibliography for 7239723.cif.	7239723.cif
246469	2020-01-03	cif/ Adding structures of 7239723 via cif-deposit CGI script.	7239723.cif