Crystallography Open Database

Information card for entry 7240596

Preview

Coordinates	7240596.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-[2-trans-(4-hydroxyphenyl) ethenyl] formamide
Formula	C9 H9 N O2
Calculated formula	C9 H9 N O2
SMILES	Oc1ccc(cc1)/C=C/NC=O
Title of publication	Identification and bioactivity evaluation of secondary metabolites from Antarctic-derived Penicillium chrysogenum CCTCC M 2020019
Authors of publication	Khan, Imran; Zhang, Haibo; Liu, Wei; Zhang, Liping; Peng, Fang; Chen, Yuchan; Zhang, Qingbo; Zhang, Guangtao; Zhang, Weimin; Zhang, Changsheng
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	35
Pages of publication	20738 - 20744
a	12.9027 ± 0.0009 Å
b	6.9592 ± 0.0004 Å
c	18.0598 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1621.6 ± 0.2 Å³
Cell temperature	105 ± 8 K
Ambient diffraction temperature	105 ± 8 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	0.0605
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
258126 (current)	2020-10-06	cif/ Updating files of 7240595, 7240596 Original log message: Adding full bibliography for 7240595--7240596.cif.	7240596.cif
252566	2020-06-03	cif/ Adding structures of 7240595, 7240596 via cif-deposit CGI script.	7240596.cif