Crystallography Open Database

Information card for entry 7060429

Preview

Coordinates	7060429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.5 H23.5 N1.5 S0.5
Calculated formula	C16.5 H23.5 N1.5 S0.5
Title of publication	Benign Synthesis of Fused-thiazoles with Enone-based Natural Products and Drugs for Lead Discovery.
Authors of publication	Alnufaie, Rawan; Ali, Mohamad Akbar; Alkhaibari, Ibrahim S.; Roy, Subrata; Day, Victor W.; Alam, Mohammad A.
Journal of publication	New journal of chemistry = Nouveau journal de chimie
Year of publication	2021
Journal volume	45
Journal issue	13
Pages of publication	6001 - 6017
a	11.1106 ± 0.0006 Å
b	11.3667 ± 0.0006 Å
c	23.4788 ± 0.0013 Å
α	90°
β	90.116 ± 0.004°
γ	90°
Cell volume	2965.2 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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