Crystallography Open Database

Information card for entry 7056209

Preview

Coordinates	7056209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 I4 N2 O4
Calculated formula	C16 H19 I4 N2 O4
Title of publication	N-(4-hydroxyphenyl)acetamide against di-iodine towards polyiodide dianion
Authors of publication	Hadjikakou, Sotiris K.; Banti, C. N.; Kourkoumelis, Nikolaos; Raptopoulou, Catherine; Psycharis, Vassilis
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	13
Pages of publication	5555 - 5564
a	14.1757 ± 0.0006 Å
b	9.6136 ± 0.0003 Å
c	17.0845 ± 0.0006 Å
α	90°
β	97.777 ± 0.002°
γ	90°
Cell volume	2306.85 ± 0.15 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056209.cif
196895	2017-05-23	cif/ Adding structures of 7056209 via cif-deposit CGI script.	7056209.cif