Crystallography Open Database

Information card for entry 4515837

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Coordinates	4515837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 Cl2 N3 O3 S
Calculated formula	C31 H27 Cl2 N3 O3 S
Title of publication	CsF-Catalyzed Transannulation Reaction of Oxazolones: Diastereoselective Synthesis of Diversified trans- N-(6-Oxo-1,4,5,6-tetrahydropyrimidin-5-yl)benzamides with Arylidene Azlactones and Amidines.
Authors of publication	Parhizkar, Golnaz; Khosropour, Ahmad Reza; Mohammadpoor-Baltork, Iraj; Parhizkar, Elahehnaz; Amiri Rudbari, Hadi
Journal of publication	ACS combinatorial science
Year of publication	2018
Journal volume	20
Journal issue	6
Pages of publication	358 - 365
a	29.879 ± 0.006 Å
b	10.897 ± 0.002 Å
c	9.1788 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2988.5 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0945
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	0.631
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225937 (current)	2019-11-10	cif/ Adding structures of 4515837 via cif-deposit CGI script.	4515837.cif