Crystallography Open Database

Information card for entry 1572857

Preview

Coordinates	1572857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H41 Br3 N2 Ni O2
Calculated formula	C31 H41 Br3 N2 Ni O2
Title of publication	Nickel-catalyzed direct synthesis of hyperbranched liquid oligoethylene
Authors of publication	Zhang, Mengyao; Dai, Shengyu
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	45
Pages of publication	4627 - 4636
a	18.9221 ± 0.0002 Å
b	18.1077 ± 0.0002 Å
c	21.0075 ± 0.0003 Å
α	90°
β	105.814 ± 0.001°
γ	90°
Cell volume	6925.49 ± 0.15 Å³
Cell temperature	296.93 ± 0.1 K
Ambient diffraction temperature	296.93 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1505
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
296718 (current)	2024-12-06	cif/ Updating files of 1572857 Original log message: Adding full bibliography for 1572857.cif.	1572857.cif
295419	2024-10-11	cif/ Adding structures of 1572857 via cif-deposit CGI script.	1572857.cif