Crystallography Open Database

Information card for entry 8107434

Preview

Coordinates	8107434.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-2-((Z)-2-((1S,4R)-3,3-dimethylbicyclo[2.2.1]heptan-2-ylidene)ethylidene) hydrazine-1-carbothioamide
Formula	C24 H38 N6 S2
Calculated formula	C24 H38 N6 S2
Title of publication	Crystal structure of (E)-2-((Z)-2-((1S,4R)-3,3-dimethylbicyclo[2.2.1] heptan-2-ylidene)ethylidene)hydrazine-1-carbothioamide, C24H38N6S2
Authors of publication	Chang, Jia-Yu; Ding, Qing-Ying; Xiao, Zhuan-Quan; Zhang, Ji; Chen, Shang-Xing
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	341 - 342
a	5.9953 ± 0.0004 Å
b	7.6132 ± 0.0005 Å
c	15.3709 ± 0.001 Å
α	82.089 ± 0.005°
β	88.307 ± 0.006°
γ	75.992 ± 0.006°
Cell volume	674.23 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
284823 (current)	2023-07-05	cif/ Adding structures of 8107434 via cif-deposit CGI script.	8107434.cif