Crystallography Open Database

Information card for entry 7241233

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Coordinates	7241233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N O4 S
Calculated formula	C21 H19 N O4 S
Title of publication	Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study
Authors of publication	Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	20
Pages of publication	6798 - 6803
a	11.9374 ± 0.0002 Å
b	18.7941 ± 0.0002 Å
c	16.6525 ± 0.0002 Å
α	90°
β	95.525 ± 0.001°
γ	90°
Cell volume	3718.68 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1762
Weighted residual factors for all reflections included in the refinement	0.1827
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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