Crystallography Open Database

Information card for entry 1570806

Preview

Coordinates	1570806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 N6 O8 Zn
Calculated formula	C34 H24 N6 O8 Zn
SMILES	[Zn]12(OC(=O)c3c(N=[N]2c2c4[n]1cccc4ccc2)cccc3C=O)([OH2])OC(=O)c1c(/N=N/c2c3ncccc3ccc2)cccc1C=O.O
Title of publication	Multiple control of azoquinoline based molecular photoswitches.
Authors of publication	Lv, Youming; Ye, Hebo; You, Lei
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	9
Pages of publication	3290 - 3299
a	7.4257 ± 0.0002 Å
b	13.6826 ± 0.0004 Å
c	15.0095 ± 0.0005 Å
α	80.434 ± 0.003°
β	78.161 ± 0.003°
γ	81.361 ± 0.003°
Cell volume	1461.12 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1481
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.3405 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290134 (current)	2024-03-04	cif/ Updating files of 1570804, 1570805, 1570806, 1570807, 1570808 Original log message: Adding full bibliography for 1570804--1570808.cif.	1570806.cif
289160	2024-01-20	cif/ Adding structures of 1570804, 1570805, 1570806, 1570807, 1570808 via cif-deposit CGI script.	1570806.cif