Crystallography Open Database

Information card for entry 3000660

Preview

No preview available: structure is on hold until 2027-05-02

Coordinates	Coordinates are not available: structure is on hold until 2027-05-02

Structure parameters

Formula	C20 H17 N3 O S
Authors of publication	Ashwathi A V; Sabeel M Basheer
Journal of publication	To be published
a	7.8212 ± 0.0012 Å
b	8.3663 ± 0.0014 Å
c	13.871 ± 0.002 Å
α	81.225 ± 0.006°
β	82.034 ± 0.005°
γ	67.683 ± 0.005°
Cell volume	826.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1238
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.