Crystallography Open Database

Information card for entry 7160121

Preview

Coordinates	7160121.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zn-Nd nanoring
Formula	C228 H246 N12 Nd3 O51 Zn6
Calculated formula	C228 H246 N12 Nd3 O51 Zn6
Title of publication	Synthesis of alkynyl cyclopropa[<i>c</i>]coumarins <i>via</i> propargyl sulfonium salts as C1 synthons.
Authors of publication	Chandrasekar, Lavanya; Hsieh, Yun-Zhen; Chou, Hao-Tse; Huang, Yu-Chen; Liu, Wei-Min
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	47
Pages of publication	9219 - 9230
a	24.3982 ± 0.0008 Å
b	26.129 ± 0.0007 Å
c	27.8953 ± 0.0005 Å
α	72.391 ± 0.002°
β	67.651 ± 0.003°
γ	78.986 ± 0.003°
Cell volume	15618.4 ± 0.8 Å³
Cell temperature	190 ± 1 K
Ambient diffraction temperature	190 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1531
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1929
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
296693 (current)	2024-12-06	cif/ Updating files of 7160121, 7160122 Original log message: Adding full bibliography for 7160121--7160122.cif.	7160121.cif
294288	2024-08-30	cif/ Adding structures of 7160121, 7160122 via cif-deposit CGI script.	7160121.cif