Crystallography Open Database

Information card for entry 1573709

Preview

Coordinates	1573709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 N4 O S
Calculated formula	C14 H14 N4 O S
Title of publication	Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity.
Authors of publication	Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	7
Pages of publication	3130 - 3140
a	6.643 ± 0.006 Å
b	7.435 ± 0.007 Å
c	28.49 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	1407 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0797
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
298138 (current)	2025-03-04	cif/ Updating files of 1573706, 1573707, 1573708, 1573709, 1573710, 1573711, 1573712 Original log message: Adding full bibliography for 1573706--1573712.cif.	1573709.cif
297368	2025-01-18	cif/ Adding structures of 1573706, 1573707, 1573708, 1573709, 1573710, 1573711, 1573712 via cif-deposit CGI script.	1573709.cif