Crystallography Open Database

Information card for entry 7232894

Preview

Coordinates	7232894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 N O4
Calculated formula	C17 H17 N O4
Title of publication	Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3
Authors of publication	Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	29
Pages of publication	4289
a	5.6594 ± 0.0005 Å
b	7.2685 ± 0.0007 Å
c	17.267 ± 0.002 Å
α	90°
β	94.508 ± 0.009°
γ	90°
Cell volume	708.09 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1148
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
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
223470 (current)	2019-11-07	cif/ Updating files of 7232894, 7232895 Original log message: Adding full bibliography for 7232894--7232895.cif.	7232894.cif
215904	2019-06-13	cif/ Adding structures of 7232894, 7232895 via cif-deposit CGI script.	7232894.cif